Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6795038

Cl.NCCCCCCNS(=O)(=O)c1ccccc1C(F)(F)F

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
MMP7 known ✓ P09237 1/20 0.46
CYP3A4 P08684 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TP53 P04637 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GMNN O75496 2/20 0.55
LMNA P02545 2/20 0.55
PMP22 Q01453 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
THRB P10828 1/20 0.55
CYP2D6 P10635 3/20 0.53

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
SCHEMBL27529773 0.81 CA12 (0.57) CYP3A4CYP1A2CYP2C19TP53MEN1
SCHEMBL10628674 0.80 MMP7 (0.48) SLC22A12CCR1MMP7PTGESRECQL
SCHEMBL1287370 0.79 ALDH1A1 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8813824 0.78 CYP3A4 (0.67) SCN1ASCN2ASCN3ACYP3A4CYP1A2
SCHEMBL3692624 0.78 CA12 (0.55) CYP2C9ALDH1A1MEN1KMT2ASLC22A12
Hydrochloric Acid SCHEMBL11629031 0.76 SCN1A (1.00) SCN1ASCN2ASCN3ACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL1844492 0.76 SCN1A (1.00) SCN1ASCN2ASCN3ACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL4219517 0.75 HTR7 (0.67) CCR1
Hydrochloric Acid SCHEMBL6792141 0.75 SCN1A (0.61) SCN1ASCN2ASCN3ACYP3A4CYP1A2
SCHEMBL5441643 0.75 CNR2 (0.48) SCN1ASCN2ASCN3ACYP3A4CYP1A2

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 3 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

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.