Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1669272

CC(C)(O)c1nc(-c2cccc(CN)c2)no1.Cl

nearest known ligand 0.56

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 Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 known ✓ Q9UBN7 2/20 0.40
▸ HDAC1 known ✓ Q13547 1/20 0.40
▸ HDAC5 known ✓ Q9UQL6 1/20 0.40
▸ HPGDS O60760 11/20 0.56
▸ ABCB1 P08183 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SPHK2 Q9NRA0 4/20 0.40
▸ SPHK1 Q9NYA1 4/20 0.40

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
SCHEMBL1669421 0.99 HPGDS (0.57) HPGDSABCB1CYP2D6CCR6L3MBTL1
SCHEMBL11891931 0.88 HPGDS (0.46) HPGDSL3MBTL1MEN1NPC1RAB9A
SCHEMBL18155190 0.86 HPGDS (0.58) HPGDSABCB1CYP2D6CCR6L3MBTL1
SCHEMBL20614674 0.85 HPGDS (0.57) HPGDSABCB1CYP2D6CCR6L3MBTL1
SCHEMBL28509888 0.82 HDAC6 (0.56) HDAC6HDAC1HDAC5
Hydrochloric Acid SCHEMBL6565113 0.79 L3MBTL1 (0.68) L3MBTL1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL20599057 0.78 HPGDS (0.52) HPGDSABCB1CYP2D6CCR6L3MBTL1
Hydrochloric Acid SCHEMBL11032862 0.78 HPGDS (0.52) HPGDSABCB1CYP2D6CCR6L3MBTL1
Hydrochloric Acid SCHEMBL19206937 0.78 HPGDS (0.52) HPGDSABCB1CYP2D6CCR6L3MBTL1
Hydrochloric Acid SCHEMBL11025587 0.78 HPGDS (0.52) HPGDSABCB1CYP2D6CCR6L3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2023-06-22 — — US disclosed
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2021-10-28 — — US disclosed
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2020-12-10 — — US disclosed
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-08-29 — — US disclosed
US-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-01-03 — — US disclosed
US-9937175-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2018-04-10 — — US disclosed
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI- AVENTIS (FR) 2017-08-17 — — US disclosed
US-9469627-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2016-10-18 — — US disclosed
EP-2486024-B1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2015-04-22 — — EP disclosed
CN-102666508-A Phenyl oxadiazole derivatives as prostaglandin D synthase inhibitors SANOFI AVENTIS 2012-09-12 — — CN disclosed
EP-2486024-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI (FR) 2012-08-15 — — EP disclosed
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI (FR) 2012-07-26 — — US disclosed
WO-2011044307-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2011-04-14 — — WO 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 (7 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-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 842/4885HDAC1 1199/4885HDAC5 982/4885
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 842/4885HDAC1 1199/4885HDAC5 982/4885
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 856/4885HDAC1 1152/4885HDAC5 937/4885
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 842/4885HDAC1 1199/4885HDAC5 982/4885
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 842/4885HDAC1 1199/4885HDAC5 982/4885
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 846/4885HDAC1 1134/4885HDAC5 995/4885
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR HDAC6 842/4885HDAC1 1199/4885HDAC5 982/4885

“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.

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