Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5477140

Cc1cc(N)ccc1NCCCn1cc[n+](C)c1.[Cl-]

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
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NQO2 P16083 4/20 0.36
QPCT Q16769 4/20 0.34
RAD52 P43351 1/20 0.33
PON1 P27169 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 SCHEMBL7255146 0.99 MAPT (0.39) MAPTMEN1APAF1NPC1PLA2G1B
SCHEMBL2930426 0.99 MAPT (0.40) MAPTMEN1APAF1NPC1PLA2G1B
SCHEMBL15545048 0.88 MAPT (0.41) MAPTMEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL5474068 0.87 MEN1 (0.39) MAPTMEN1APAF1NPC1PLA2G1B
Water SCHEMBL6571749 0.86 MEN1 (0.38) MAPTMEN1APAF1NPC1PLA2G1B
SCHEMBL2926193 0.85 MEN1 (0.40) MAPTMEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL7255139 0.85 MEN1 (0.37) MAPTMEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL5476492 0.84 MAPT (0.36) MAPTMEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL7251372 0.83 MEN1 (0.36) MAPTMEN1APAF1NPC1PLA2G1B
SCHEMBL2930590 0.82 MAPT (0.37) MAPTMEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP claimed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US claimed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US claimed
EP-0928289-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP claimed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 US claimed
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-20070226917-A1 Hair Dye Agent Comprising Organosilicon Copolymers with Amino Groups and Polyoxyalkylene Groups and Use Thereof HENKEL KGAA (DE) 2007-10-04 US disclosed
US-7179303-B2 Active ingredient combinations for hair-dyeing agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-02-20 US disclosed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US disclosed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US disclosed
US-20040133996-A1 Active ingredient combinations for hair-dyeing agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 US disclosed
US-20040064901-A1 Enzymatic coloring agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-04-08 US disclosed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 US disclosed
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US disclosed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 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 (4 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-20040133996-A1 Active ingredient combinations for hair-dyeing agents KRT18, COL1A1, MKI67 MAPT 2503/4885MEN1 948/4885APAF1 4037/4885
US-20040064901-A1 Enzymatic coloring agents GLA, HEXA, HSD17B14 MAPT 2435/4885MEN1 4815/4885APAF1 2857/4885
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER KRT18, AOC1, CYB5R3 MAPT 615/4885MEN1 2002/4885APAF1 1051/4885
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRT18, AOC1, CYB5R3 MAPT 615/4885MEN1 2002/4885APAF1 1051/4885

“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.