Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1697482

Cc1cc(C)c(-n2c[n+](-c3c(C)cc(C)cc3C)c(-c3ccccc3)c2-c2ccccc2)c(C)c1.[Cl-]

nearest known ligand 0.32

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 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F13A1 P00488 1/20 0.31
PSMB5 P28074 1/20 0.30

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
SCHEMBL16547301 0.71 XDH (0.37) HTT
SCHEMBL820144 0.67
SCHEMBL18287212 0.66 RAB9A (0.43) LMNAHTTRAB9ASMN1; SMN2PSMB5
SCHEMBL25266417 0.66 F13A1 (0.43) HTTSMN1; SMN2F13A1PSMB5
Iodide SCHEMBL31485329 0.65 F13A1 (0.42) HTTSMN1; SMN2F13A1PSMB5
SCHEMBL444948 0.64 CYP1A2 (0.42) LMNASMN1; SMN2PSMB5
SCHEMBL1316463 0.64 KDR (0.52) PSMB5
SCHEMBL29788366 0.63 KDR (0.51) PSMB5
SCHEMBL28848948 0.63 KDR (0.51) PSMB5
SCHEMBL29070232 0.63 KDR (0.51) PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
EP-2585427-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID Sumitomo Chemical Company Limited (JP) 2013-05-01 EP disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 WO disclosed
WO-2011162404-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 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 (3 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-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT LMNA 3756/4885HTT 3927/4885RAB9A 4454/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 LMNA 2829/4885HTT 2865/4885RAB9A 3655/4885
US-20130109884-A1 PROCESS FOR PRODUCING ALPHA-KETOCARBOXYLIC ACID ALDH18A1, MCCC2, ALDH7A1 LMNA 2441/4885HTT 3869/4885RAB9A 4655/4885

“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.