Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16893531

COc1ccc(C(=O)c2cc(CC(=O)NC(=N)N)c(-c3ccc(Cl)c(Cl)c3)s2)cc1.Cl

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
OPRD1 known ✓ P41143 1/20 0.35
HTR2A known ✓ P28223 1/20 0.35
SLC6A4 known ✓ P31645 1/20 0.35
KCNH2 known ✓ Q12809 1/20 0.35
GAA known ✓ P10253 1/20 0.34
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 6/20 0.39
CTSD P07339 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
RCE1 Q9Y256 1/20 0.37
EIF4E P06730 1/20 0.36
HPGD P15428 4/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL15547477 0.99 KMT2A (0.48) KMT2AMEN1RXFP1MAPTCTSD
Hydrochloric Acid SCHEMBL16893371 0.91 MEN1 (0.54) KMT2AMEN1RXFP1MAPTKDM4E
SCHEMBL15546196 0.90 MEN1 (0.55) KMT2AMEN1RXFP1MAPTKDM4E
SCHEMBL18035703 0.89 KMT2A (0.46) KMT2AMEN1RXFP1MAPTCTSD
SCHEMBL15545547 0.88 KMT2A (0.49) KMT2AMEN1RXFP1MAPTCTSD
SCHEMBL16893498 0.85 KMT2A (0.44) KMT2AMEN1RXFP1MAPTCTSD
SCHEMBL18035674 0.84 KMT2A (0.47) KMT2AMEN1RXFP1MAPTCTSD
SCHEMBL28819583 0.84 KMT2A (0.50) KMT2AMEN1RXFP1MAPTKDM4E
SCHEMBL15546009 0.83 KMT2A (0.66) KMT2AMEN1RXFP1MAPTKDM4E
SCHEMBL15546529 0.83 MEN1 (0.49) KMT2AMEN1RXFP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875010-B1 THIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-08-31 EP claimed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US claimed
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 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 (1 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-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES SLC5A2, SLC5A1, TPMT OPRD1 2281/4885HTR2A 2155/4885SLC6A4 85/4885

“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.