Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4598405

Cl.NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.66

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 2/20 0.62
SLC6A2 known ✓ P23975 1/20 0.62
HTR1D known ✓ P28221 1/20 0.54
HTR1B known ✓ P28222 1/20 0.54
HTR2A known ✓ P28223 1/20 0.54
HTR2C known ✓ P28335 1/20 0.54
HTR7 known ✓ P34969 1/20 0.54
HTR6 known ✓ P50406 1/20 0.54
MAPT P10636 5/20 0.66
ALDH1A1 P00352 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
HPGD P15428 1/20 0.66
LMNA P02545 2/20 0.62
FNTA P49354 1/20 0.62
FNTB P49356 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PKM P14618 1/20 0.59

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
Hydrochloric Acid SCHEMBL30295582 1.00 MAPT (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL40822 0.98 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29376364 0.98 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3262116 0.98 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL27760596 0.92 MEN1 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Tryptamine SCHEMBL28351329 0.89 CYP1A2 (0.73) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5656023 0.88 MAPT (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Indole-3-Acetic Acid SCHEMBL2269865 0.85 MAPT (0.69) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5717728 0.85 MAPT (0.73) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24577957 0.84 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
EP-1907379-A1 CRYSTALLINE FORMS OF (2R-TRANS)-6-CHLORO-5ÝÝ4-Ý(4-FLUOROPHENYL)METHYL¨-2,5-DIMETHYL-1-PIPERAZINYL¨CARBONYL¨-N,N, 1-TRIMETHYL-ALPHA-OXO-1H-INDOLE-3-ACETAMIDE MONOHYDROCHLORIDE Scios, Inc. (US) 2008-04-09 EP disclosed
WO-2007005863-A1 CRYSTALLINE FORMS OF (2R-TRANS)-6-CHLORO-5[[4-[(4-FLUOROPHENYL)METHYL]-2,5-DIMETHYL-1-PIPERAZINYL]CARBONYL]-N,N, 1-TRIMETHYL-ALPHA-OXO-1H-INDOLE-3-ACETAMIDE MONOHYDROCHLORIDE SCIOS INC. (US) 2007-01-11 WO disclosed
EP-0540956-A1 Process for the manufacture of substituted maleimides F. HOFFMANN-LA ROCHE AG (CH) 1993-05-12 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 (2 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-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 GAA 2099/4885SLC6A2 1911/4885HTR1D 4794/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 GAA 2099/4885SLC6A2 1911/4885HTR1D 4794/4885

“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.