Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6792141

Cl.NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

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
SCN1A known ✓ P35498 3/20 0.61
SCN2A known ✓ Q99250 3/20 0.61
SCN3A known ✓ Q9NY46 3/20 0.61
CYP19A1 known ✓ P11511 1/20 0.56
CA2 known ✓ P00918 1/20 0.54
MMP1 known ✓ P03956 1/20 0.54
MMP8 known ✓ P22894 1/20 0.54
MMP13 known ✓ P45452 1/20 0.54
ALDH1A1 P00352 5/20 0.59
CYP3A4 P08684 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPY5R Q15761 4/20 0.58
LMNA P02545 3/20 0.55
TP53 P04637 3/20 0.55

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
SCHEMBL7898705 0.99 ALDH1A1 (0.60) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL25166782 0.99 ALDH1A1 (0.60) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL7007500 0.99 ALDH1A1 (0.60) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL7899203 0.97 KMT2A (0.61) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL7523378 0.93 NPY5R (0.55) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL12720636 0.93 KMT2A (0.63) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL3540913 0.93 KMT2A (0.66) ALDH1A1MEN1KMT2ANPY5RCYP19A1
SCHEMBL8342506 0.92 KMT2A (0.56) SCN1ASCN2ASCN3AALDH1A1CYP3A4
SCHEMBL31284709 0.91 KMT2A (0.68) ALDH1A1MEN1KMT2ANPY5RCYP19A1
SCHEMBL8342508 0.90 KMT2A (0.57) SCN1ASCN2ASCN3AALDH1A1CYP3A4

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-6734182-B2 SLEEP DISORDERS; EATING DISORDERS; SEXUAL DISORDERS; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-05-11 US disclosed
US-20030013714-A1 Aryl sulfonamides and sulfamide derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-16 US disclosed
US-6391877-B1 EATING DISORDERS; SEXUAL DISORDERS; ANTIDEPRESSANTS; ANTIEPILEPTIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-21 US disclosed
US-6211241-B1 ANTIDEPRESSANTS, SLEEP AND EATING DISORDERS AND ANTIEPILEPTIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
WO-1997019682-A1 ARYL SULFONAMIDE AND SULFAMIDE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-06-05 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 (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-20030013714-A1 Aryl sulfonamides and sulfamide derivatives and uses thereof NPY5R, SSTR5, NPY2R SCN1A 669/4885SCN2A 354/4885SCN3A 1325/4885

“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.