Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4875252

O=C(O)CCc1nc2ccc(N3CCOCC3)nc2s1.[Cl-].[H+]

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
PIK3CA P42336 1/20 0.39
RECQL P46063 1/20 0.39
MCHR1 Q99705 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37

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
Hydrochloric Acid SCHEMBL4875256 0.96 HDAC6 (0.43) HDAC6PKMKDM4EMAPTMAOB
Hydrochloric Acid SCHEMBL4669334 0.91 MAOB (0.50) HDAC6PKMMAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL4870515 0.89 MAOB (0.51) HDAC6PKMMAPTMAOBALDH1A1
Hydrochloric Acid SCHEMBL4669337 0.87 MAOB (0.51) HDAC6PKMKDM4EMAPTMAOB
Hydrochloric Acid SCHEMBL4870524 0.86 MAOB (0.52) HDAC6PKMMAPTMAOBALDH1A1
SCHEMBL32686155 0.73 ALDH1A1 (0.50) PKMKDM4EMAPTMAOBKMT2A
Hydrochloric Acid SCHEMBL4673069 0.72 MAOB (0.47) HDAC6PKMMAPTMAOBGAA
SCHEMBL12557899 0.72 MAOB (0.46) KDM4EMAPTMAOBGAAMEN1
SCHEMBL15079503 0.72 MAPT (0.56) MAPTMAOBGAAPIK3CACYP1A2
SCHEMBL30526816 0.72 MAPT (0.56) MAPTMAOBGAAPIK3CACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 HDAC6 782/4885PKM 4686/4885KDM4E 3442/4885

“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.