Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4640586

CS(=O)(=O)Nc1ccc(CN)cc1Cl.[Cl-].[H+]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
PTK2 Q05397 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
CA2 P00918 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38

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
SCHEMBL2006924 0.97 CSNK2A1 (0.42) CSNK2A1CSNK2A2CSNK2BCSNK2A3PTK2
Hydrochloric Acid SCHEMBL4640588 0.95 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BCSNK2A3PTK2
Hydrochloric Acid SCHEMBL537907 0.83 PNMT (0.50) ADRA2AADRA2BADRA2CADRA1ASMN1; SMN2
SCHEMBL5761857 0.81 PTGES2 (0.45) ADRA2AADRA2BADRA2CADRA1ACYP19A1
SCHEMBL3657859 0.79 ADRB3 (0.42) ADRA2AADRA2BADRA2CADRA1ACA2
SCHEMBL1660192 0.79 MAPT (0.43) PTK2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1659054 0.78 TRPV1 (0.52)
Hydrochloric Acid SCHEMBL2002633 0.78 MAPT (0.43) PTK2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2006254 0.78 ADRB3 (0.42) PTK2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6816106 0.76 CYP3A4 (0.48) CA2ALDH1A1HPGDHTTSMN1; 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
EP-1824837-B1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2008-08-13 EP disclosed
EP-1824837-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS Pfizer, Inc. (US) 2007-08-29 EP disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
WO-2006051378-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2006-05-18 WO disclosed
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER, INC. 2006-05-11 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-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists CNR1, AVPR1A, OPRL1 CSNK2A1 1210/4885CSNK2A2 1661/4885CSNK2B 1922/4885

“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.