Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6749110

COCN1c2cc(C[n+]3cccc(N4C(=O)c5ccccc5C4=O)c3C)ccc2Sc2nccnc21.[Cl-]

nearest known ligand 0.36

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 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
THRB P10828 1/20 0.35
TP53 P04637 4/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 4/20 0.32
NR1H3 Q13133 1/20 0.32
POLB P06746 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL6745537 0.82 HDAC6 (0.45) HDAC6THRBTP53MAPTLMNA
Hydrochloric Acid SCHEMBL6749106 0.81 HDAC6 (0.38) HDAC6THRBTP53MAPTLMNA
SCHEMBL6749064 0.73 HDAC6 (0.41) HDAC6THRBPOLB
SCHEMBL6747294 0.73 HDAC6 (0.39) HDAC6
SCHEMBL6746539 0.73 HDAC6 (0.41) HDAC6
SCHEMBL6746499 0.72 HDAC6 (0.37) HDAC6THRB
SCHEMBL6747454 0.72 HDAC6 (0.43) HDAC6THRBMAPTLMNA
SCHEMBL6747445 0.72 HDAC6 (0.39) HDAC6THRB
SCHEMBL6745730 0.71 HDAC6 (0.43) HDAC6THRBMAPT
SCHEMBL6746519 0.71 HDAC6 (0.40) HDAC6THRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HDAC6 1953/4885THRB 4064/4885TP53 550/4885

“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.