Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4482069

Cl.N=C(N)NC(=N)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

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 18)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 2/20 0.44
MAPT P10636 3/20 0.54
EPHX2 P34913 3/20 0.54
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.47
F9 P00740 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
NPY1R P25929 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4104600 0.98 MAPT (0.56) MAPTEPHX2KDM4EL3MBTL1ALDH1A1
SCHEMBL4104599 0.86 EPHX2 (0.61) MAPTEPHX2KDM4EL3MBTL1F9
SCHEMBL9955776 0.85 EPHX2 (0.62) MAPTEPHX2KDM4EL3MBTL1ALDH1A1
SCHEMBL11137428 0.83 MAPT (0.71) MAPTEPHX2KDM4EL3MBTL1ALDH1A1
SCHEMBL11271295 0.83 EPHX2 (0.71) MAPTEPHX2KDM4EALDH1A1TRPV1
Hydrochloric Acid SCHEMBL19371395 0.81 MAPT (0.50) MAPTEPHX2KDM4EL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL11815085 0.80 ALDH1A1 (0.52) MAPTEPHX2KDM4EL3MBTL1ALDH1A1
SCHEMBL3068902 0.79 F2 (0.43) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL16693931 0.79 F9 (0.53) MAPTEPHX2KDM4EL3MBTL1F9
SCHEMBL17777334 0.79 EPHX2 (0.51) MAPTEPHX2KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115942846-A Preparation method of perovskite device 宣城先进光伏技术有限公司 2023-04-07 CN claimed
CN-115884645-A Preparation method of perovskite device 宣城先进光伏技术有限公司 2023-03-31 CN claimed
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method LUBRIZOL ADVANCED MATERIALS, INC. 2016-10-13 US claimed
EP-3065831-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD Lubrizol Advanced Materials, Inc. (US) 2016-09-14 EP claimed
WO-2015069823-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-05-14 WO claimed
CN-115942846-A Preparation method of perovskite device 宣城先进光伏技术有限公司 2023-04-07 CN disclosed
CN-115884645-A Preparation method of perovskite device 宣城先进光伏技术有限公司 2023-03-31 CN disclosed
EP-3222614-B1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC (US) 2020-07-29 EP disclosed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 US disclosed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 US disclosed
EP-3222614-A2 BIGUANIDE COMPOUND AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-09-27 EP disclosed
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method LUBRIZOL ADVANCED MATERIALS, INC. 2016-10-13 US disclosed
EP-3065831-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD Lubrizol Advanced Materials, Inc. (US) 2016-09-14 EP disclosed
WO-2015069823-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-05-14 WO disclosed
EP-1574503-B1 2,4-Diamino-1,3,5-triazine derivative HAMARI CHEMICALS LTD (JP) 2013-03-13 EP disclosed
US-7622469-B2 2,4-diamino-1,3,5-triazine derivatives HAMARI CHEMICALS, LTD. (JP) 2009-11-24 US disclosed
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS, LTD. (JP) 2006-07-13 US disclosed
EP-1574503-A1 NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE Hamari Chemicals Co., Ltd. (JP) 2005-09-14 EP 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 (4 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-10626085-B2 Biguanide compound and use thereof MKI67, GCG, GCKR GAA 788/4885MAPT 2265/4885EPHX2 3539/4885
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR GAA 788/4885MAPT 2265/4885EPHX2 3539/4885
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method KRT18, PRKDC, DNMT1 GAA 2921/4885MAPT 360/4885EPHX2 2924/4885
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative DAZAP1, DCUN1D5, TLR5 GAA 694/4885MAPT 3174/4885EPHX2 4194/4885

“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.