SCHEMBL2930159

SCHEMBL2930159

CC[N+](C)(CC)CCOc1ccc(N)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
USP2 O75604 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 2/20 0.63
TP53 P04637 1/20 0.63
POLB P06746 1/20 0.63
CASP1 P29466 1/20 0.63
HTT P42858 1/20 0.63
CASP7 P55210 1/20 0.63
ATM Q13315 1/20 0.63
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
PRSS1 P07477 8/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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 SCHEMBL5566013 0.98 GAA (0.61) GAAKDM4EMAPTUSP2MEN1
Hydrochloric Acid SCHEMBL7739871 0.97 GAA (0.64) GAAKDM4EMAPTUSP2MEN1
SCHEMBL14497411 0.92 MAPT (0.61) GAAKDM4EMAPTUSP2MEN1
SCHEMBL4667845 0.87 MAPT (0.46) GAAKDM4EMAPTUSP2MEN1
Water SCHEMBL2921450 0.86 MAPT (0.45) GAAKDM4EMAPTUSP2MEN1
Hydrochloric Acid SCHEMBL5232233 0.86 MAPT (0.45) GAAKDM4EMAPTUSP2MEN1
SCHEMBL14497407 0.85 GAA (0.64) GAAKDM4EMAPTUSP2MEN1
SCHEMBL2928435 0.84 GAA (0.44) GAAKDM4EMAPTUSP2MEN1
SCHEMBL15568434 0.84 GAA (0.55) GAAKDM4EMAPTUSP2MEN1
Water SCHEMBL7164888 0.84 MAPT (0.44) GAAKDM4EMAPTUSP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP claimed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP claimed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO claimed
US-9364404-B2 Dye composition comprising a cationic O-alkyl-substituted meta-phenylenediamine derivative L'OREAL (FR) 2016-06-14 US disclosed
US-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2015-07-23 US disclosed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP disclosed
EP-1073407-B1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES OREAL (FR) 2005-04-20 EP disclosed
EP-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO 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-20150202135-A1 DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE MT-ND6, C5, C9 GAA 3447/4885KDM4E 4459/4885MAPT 4160/4885

“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.