SCHEMBL1153946

SCHEMBL1153946

CC1=CC(=Nc2ccc(N(CCO)CCO)cc2)C(N)=C(Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.36
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PSMD14 O00487 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 3/20 0.34
MCL1 Q07820 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
ALOX12 P18054 1/20 0.30
PPARG P37231 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
SCHEMBL12052167 1.00 PABPC1 (0.36) PABPC1MAPTKMT2ANPC1RAB9A
SCHEMBL1153944 1.00 PABPC1 (0.36) PABPC1MAPTKMT2ANPC1RAB9A
SCHEMBL1154766 0.94 KMT2A (0.42) PABPC1MAPTKMT2ANPC1RAB9A
SCHEMBL12052180 0.94 KMT2A (0.42) PABPC1MAPTKMT2ANPC1RAB9A
SCHEMBL1154767 0.94 KMT2A (0.42) PABPC1MAPTKMT2ANPC1RAB9A
SCHEMBL16330367 0.87 PABPC1 (0.35) PABPC1
SCHEMBL1153978 0.86 PABPC1 (0.34) PABPC1
SCHEMBL12052188 0.86 PABPC1 (0.34) PABPC1
SCHEMBL1153979 0.86 PABPC1 (0.34) PABPC1
SCHEMBL12052179 0.84 PABPC1 (0.33) PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8083809-B2 Azomethine direct dyes or reduced precursors of these dyes obtained from 2-chloro-3-amino-6-methylphenol, and hair dyeing method starting from these dyes and precursors L'OREAL S.A. (FR) 2011-12-27 US claimed
EP-2229140-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS OREAL (FR) 2011-08-03 EP claimed
US-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL S.A (FR) 2011-02-24 US claimed
EP-2579841-B1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS ORÉAL L (FR) 2016-09-14 EP disclosed
EP-2579842-B1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES ORÉAL L (FR) 2016-03-30 EP disclosed
US-8771376-B2 Composition comprising at least one 2-pyrrolidone functionalized with an ester or amide radical, and at least one pigment or direct dye, for dyeing keratin materials L'OREAL (FR) 2014-07-08 US disclosed
US-8585779-B2 Composition comprising at least one 2-pyrrolidone functionalized in the 4 position with a carboxylic acid or amide, and at least one direct dye or a pigment for dyeing keratin fibres L'OREAL (FR) 2013-11-19 US disclosed
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2013-06-20 US disclosed
US-8083809-B2 Azomethine direct dyes or reduced precursors of these dyes obtained from 2-chloro-3-amino-6-methylphenol, and hair dyeing method starting from these dyes and precursors L'OREAL S.A. (FR) 2011-12-27 US disclosed
EP-2229140-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS OREAL (FR) 2011-08-03 EP disclosed
US-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL S.A (FR) 2011-02-24 US disclosed
EP-2229140-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'Oréal (FR) 2010-09-22 EP disclosed
WO-2009077393-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL (FR) 2009-06-25 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 (2 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-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS KRT18, MKI67, DNMT1 PABPC1 3272/4885MAPT 1212/4885KMT2A 274/4885
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS KRT18, ADH1A, ADH5 PABPC1 2596/4885MAPT 254/4885KMT2A 1638/4885

“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.