Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5355166

Cc1cc(N2CCC[N+](C)(CCCN3CCCC3)CC2)ccc1N.[Cl-]

nearest known ligand 0.47

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
CHRM2 known ✓ P08172 2/20 0.34
CHRM1 known ✓ P11229 2/20 0.34
CHRM3 known ✓ P20309 2/20 0.34
GAA P10253 3/20 0.47
RAD52 P43351 1/20 0.47
HTT P42858 3/20 0.37
S100B P04271 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 5/20 0.36
HRH3 Q9Y5N1 2/20 0.36
IP6K1 Q92551 1/20 0.34

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
SCHEMBL6744572 0.99 GAA (0.48) GAARAD52HTTS100BMAPT
Hydrochloric Acid SCHEMBL5352494 0.97 GAA (0.50) GAARAD52HTTS100BMAPT
SCHEMBL6746047 0.95 GAA (0.51) GAARAD52HTTS100BMAPT
Hydrochloric Acid SCHEMBL5707952 0.91 GAA (0.53) GAARAD52HTTMAPTMAPK1
SCHEMBL5707924 0.90 GAA (0.54) GAARAD52HTTMAPTMAPK1
Hydrochloric Acid SCHEMBL5707964 0.90 GAA (0.56) GAARAD52HTTMAPTMAPK1
SCHEMBL5707909 0.89 GAA (0.58) GAARAD52HTTMAPTMAPK1
Hydrochloric Acid SCHEMBL5390064 0.85 MAPT (0.45) GAARAD52HTTMAPTMAPK1
Hydrochloric Acid SCHEMBL5403739 0.84 GAA (0.48) GAARAD52HTTS100BMAPT
SCHEMBL6748711 0.83 MAPT (0.46) GAARAD52HTTMAPTMAPK1

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-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US claimed
US-20040237216-A1 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL S.A. (FR) 2004-12-02 US claimed
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 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-20040237216-A1 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring KRT18, CDC73, DSP CHRM2 2617/4885CHRM1 1980/4885CHRM3 2259/4885

“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.