Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2957865

Cc1csc(Br)c1Nc1nc2cc(F)ccc2[nH]1.Cl

nearest known ligand 0.35

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
LCK known ✓ P06239 3/20 0.32
HDAC11 known ✓ Q96DB2 1/20 0.31
KIT known ✓ P10721 2/20 0.31
GAA known ✓ P10253 1/20 0.31
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MTOR P42345 1/20 0.33
ADORA2A P29274 1/20 0.32
CSNK1D P48730 2/20 0.32
CSNK1G2 P78368 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
POLB P06746 1/20 0.31
CRHR1 P34998 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL2954976 0.99 NPC1 (0.36) NPC1RAB9AMAPTSMN1; SMN2MTOR
Hydrochloric Acid SCHEMBL2960061 0.86 MTOR (0.33) NPC1RAB9AMAPTSMN1; SMN2MTOR
SCHEMBL13237895 0.84 NPC1 (0.36) NPC1RAB9AMAPTSMN1; SMN2MTOR
SCHEMBL6219098 0.84 MTOR (0.33) NPC1RAB9AMAPTSMN1; SMN2MTOR
SCHEMBL2951463 0.84 HDAC11 (0.42) NPC1RAB9AMAPTSMN1; SMN2ADORA2A
SCHEMBL13237921 0.81 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4576355 0.78 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2MTOR
SCHEMBL2950411 0.76 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2MTOR
Hydrochloric Acid SCHEMBL2957579 0.76 MTOR (0.34) NPC1RAB9AMAPTSMN1; SMN2MTOR
SCHEMBL13237950 0.75 LCK (0.41) LCKCRHR1GAA

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 9 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
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

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 LCK 2469/4885HDAC11 2194/4885KIT 1413/4885
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP LCK 2772/4885HDAC11 2438/4885KIT 1068/4885
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, TST, PNLIP LCK 2928/4885HDAC11 2266/4885KIT 983/4885
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis PLAT, TST, PNLIP LCK 2928/4885HDAC11 2266/4885KIT 983/4885

“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.