Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2957579

Cl.Fc1ccc2[nH]c(Nc3c(Cl)csc3Cl)nc2c1

nearest known ligand 0.34

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
GAA known ✓ P10253 1/20 0.32
LCK known ✓ P06239 2/20 0.31
JAK2 known ✓ O60674 1/20 0.31
MTOR P42345 1/20 0.34
NPC1 O15118 6/20 0.32
RAB9A P51151 6/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.32
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSNK1E P49674 1/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
IDH2 P48735 1/20 0.31
AMY1A P0DUB6 1/20 0.30

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
SCHEMBL6196350 0.99 MTOR (0.34) MTORNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2960061 0.88 MTOR (0.33) MTORNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13237895 0.86 NPC1 (0.36) MTORNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6219098 0.86 MTOR (0.33) MTORNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2957190 0.85 HDAC11 (0.40) RAB9APTGESKDM4EHSD17B10CSNK1E
SCHEMBL6215156 0.83 HDAC11 (0.41) PTGESKDM4EHSD17B10CSNK1ELCK
Hydrochloric Acid SCHEMBL6491665 0.82 JAK2 (0.46) MTORNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13238050 0.80 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1362719 0.80 JAK2 (0.46) MTORNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2958571 0.78 IDH2 (0.38) MTORNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US disclosed
US-7488746-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 US disclosed
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-7317033-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-20 US disclosed
US-7049333-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-23 US disclosed
EP-1513834-B1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2006-03-15 EP disclosed
EP-1513834-A1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2005-03-16 EP disclosed
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 US disclosed
WO-2003101984-A1 SUBSTITUTED THIOPHENES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC REAGENT, AND A MEDICAMENT CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 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 (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-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, CPS1, TST GAA 1161/4885LCK 2469/4885JAK2 169/4885
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP GAA 797/4885LCK 2772/4885JAK2 205/4885
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, TST, PNLIP GAA 758/4885LCK 2928/4885JAK2 215/4885
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis PLAT, TST, PNLIP GAA 758/4885LCK 2928/4885JAK2 215/4885

“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.