Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4804902

CCC(N=Nc1n(C)c2ccccc2[n+]1C)=NN=c1ccccn1C.[Cl-]

nearest known ligand 0.34

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 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
ERAP1 Q9NZ08 1/20 0.32
GAA P10253 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.31
HTT P42858 1/20 0.31
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL5198840 0.99 MAPT (0.35) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4804279 0.86 KDM4E (0.38) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5197825 0.84 KDM4E (0.39) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4799654 0.84 MAPT (0.35) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4799458 0.83 KDM4E (0.36) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4804525 0.83 KDM4E (0.34) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5196704 0.83 MAPT (0.35) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5197279 0.82 MAPT (0.37) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5198027 0.82 MAPT (0.35) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL5222032 0.81 ALDH1A1 (0.30) ALDH1A1L3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7311736-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2007-12-25 US claimed
EP-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP claimed
WO-2007071685-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071683-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071689-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071684-A2 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND AN AMINO SILICONE L'ORÉAL (FR) 2007-06-28 WO claimed
US-20050198744-A1 Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration L'OREAL S.A. (FR) 2005-09-15 US claimed
US-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds L'OREAL (FR) 2005-02-10 US claimed
US-7399320-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-07-15 US disclosed
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2008-04-24 US disclosed
US-7311736-B2 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds L'OREAL (FR) 2007-12-25 US disclosed
US-7288120-B2 Synthesis of tetraazapentamethine compounds, and processes for dyeing keratin fibers using this synthesis L'OREAL S.A. (FR) 2007-10-30 US disclosed
WO-2007071685-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2007071689-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2007071683-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT L'ORÉAL (FR) 2007-06-28 WO disclosed
US-20050198744-A1 Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration L'OREAL S.A. (FR) 2005-09-15 US disclosed
US-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds L'OREAL (FR) 2005-02-10 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 (3 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-20050028300-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds KRT18, TET1, DNMT1 KDM4E 237/4885MAPT 438/4885RAB9A 3479/4885
US-20050198744-A1 Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration KRT18, TPM4, AZI2 KDM4E 407/4885MAPT 721/4885RAB9A 4047/4885
US-20080092307-A1 Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds KRT18, TUBA4A, TUBB4A KDM4E 154/4885MAPT 234/4885RAB9A 3045/4885

“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.