Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6415215

Cc1cc(N2CCN(C(=O)Cn3cc[n+](C)c3)CCN(c3ccc(N)c(C)c3)CC2)ccc1N.[Cl-]

nearest known ligand 0.46

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 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 5/20 0.39
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GFER P55789 1/20 0.36
RAB9A P51151 1/20 0.36

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 SCHEMBL5707967 1.00 GAA (0.46) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL5707960 0.99 GAA (0.47) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL6152146 0.99 GAA (0.47) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707927 0.96 GAA (0.43) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707947 0.85 GFER (0.51) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6417931 0.85 GFER (0.51) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL6151900 0.84 GFER (0.52) GAARAD52ALDH1A1LMNAMAPT
SCHEMBL5707942 0.84 GFER (0.52) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5707949 0.81 GFER (0.47) GAARAD52ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5828842 0.80 GFER (0.46) GAARAD52ALDH1A1LMNAMAPT

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 GAA 4694/4885RAD52 553/4885ALDH1A1 741/4885

“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.