Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5352144

C[N+]1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1.[Cl-]

nearest known ligand 0.64

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
SIRT6 Q8N6T7 2/20 0.63
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.58
ADRB1 P08588 1/20 0.58
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
CHRNB2 P17787 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
APOBEC3A P31941 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL5357616 0.98 SIRT6 (0.65) SIRT6MAPTALDH1A1POLBADRB1
Hydrochloric Acid SCHEMBL5405239 0.94 MAPT (0.64) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6748663 0.92 MAPT (0.66) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL5357980 0.87 SIRT6 (0.52) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL5393424 0.83 MAPT (0.54) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL15271381 0.82 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6151230 0.82 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBADRB1
Hydrochloric Acid SCHEMBL5364983 0.81 SIRT6 (0.52) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL13598415 0.80 MAPT (0.67) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6746535 0.79 SIRT6 (0.54) SIRT6MAPTALDH1A1POLBADRB1

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-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
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 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 SIRT6 1310/4885MAPT 2272/4885ALDH1A1 1421/4885

“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.