1400W

1400W

SCHEMBL3115597

CC(N)=NCc1cccc(CN)c1.Cl.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 1400W. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D known ✓ O15399 1/20 0.61
GRIN3B known ✓ O60391 1/20 0.61
GRIN1 known ✓ Q05586 1/20 0.61
GRIN2A known ✓ Q12879 1/20 0.61
GRIN2B known ✓ Q13224 1/20 0.61
GRIN2C known ✓ Q14957 1/20 0.61
GRIN3A known ✓ Q8TCU5 1/20 0.61
NOS2 P35228 9/20 1.00
NOS1 P29475 6/20 1.00
NOS3 P29474 4/20 1.00
ALDH1A1 P00352 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
CYP3A4 P08684 1/20 0.96
NFKB1 P19838 1/20 0.96

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
1400W SCHEMBL29386443 1.00 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
1400W SCHEMBL524310 0.98 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL9062832 0.79 NOS1 (0.68) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4737504 0.79 NOS2 (0.92) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL29037227 0.79 NOS1 (0.67) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL9063327 0.77 NOS1 (0.64) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL14291059 0.77 NOS2 (0.96) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL20675953 0.77 NOS2 (0.96) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
SCHEMBL16378769 0.76 NOS2 (0.63) NOS2NOS1NOS3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6018896 0.76 LOXL2 (0.67) NOS2NOS1NOS3ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009549-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF BEETLEBUNG PHARMA LTD (IL) 2021-01-14 US claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 US disclosed
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY INC (US) 2022-02-10 US disclosed
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2022-02-10 US disclosed
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 US disclosed
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF DOMPÉ FARMACEUTICI S.P.A. (IT) 2021-05-13 US disclosed
US-20210009549-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF BEETLEBUNG PHARMA LTD (IL) 2021-01-14 US disclosed
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2020-12-24 US disclosed
US-20160243028-A1 Auris Formulations for Treating Otic Diseases and Conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-08-25 US disclosed
US-20160228357-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-08-11 US disclosed
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-04-07 US disclosed
US-9132087-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2015-09-15 US disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO disclosed
US-20140243425-A1 CONTROLLED RELEASE COMPOSITIONS FOR MODULATING FREE-RADICAL INDUCED DAMAGE AND METHODS OF USE THEREOF OTONOMY, INC. (US) 2014-08-28 US disclosed
US-8784870-B2 Controlled release compositions for modulating free-radical induced damage and methods of use thereof OTONOMY, INC. (US) 2014-07-22 US disclosed
US-20100022661-A1 CONTROLLED RELEASE COMPOSITIONS FOR MODULATING FREE-RADICAL INDUCED DAMAGE AND METHODS OF USE THEREOF OTONOMY, INC. (US) 2010-01-28 US disclosed
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. (US) 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243425-A1 CONTROLLED RELEASE COMPOSITIONS FOR MODULATING FREE-RADICAL INDUCED DAMAGE AND METHODS OF USE THEREOF OTC, ARG2, COX6A1 GRIN2D 4273/4885GRIN3B 2706/4885GRIN1 2644/4885
US-20100022661-A1 CONTROLLED RELEASE COMPOSITIONS FOR MODULATING FREE-RADICAL INDUCED DAMAGE AND METHODS OF USE THEREOF OTC, ARG2, COX6A1 GRIN2D 4273/4885GRIN3B 2706/4885GRIN1 2644/4885
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB GRIN2D 4679/4885GRIN3B 3518/4885GRIN1 4171/4885
US-20160243028-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-20210009549-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF CNR1, GLRA1, GLRA3 GRIN2D 56/4885GRIN3B 40/4885GRIN1 18/4885
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB GRIN2D 4679/4885GRIN3B 3518/4885GRIN1 4171/4885
US-20160228357-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB GRIN2D 4587/4885GRIN3B 3399/4885GRIN1 4056/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 GRIN2D 4199/4885GRIN3B 2685/4885GRIN1 4107/4885
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 GRIN2D 3542/4885GRIN3B 2261/4885GRIN1 1568/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.