SCHEMBL10046653

SCHEMBL10046653

NC1=CC(=O)C(Nc2ccc(N)cc2)=C/C1=N\c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.33
BLM P54132 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
GALK1 P51570 1/20 0.32

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
SCHEMBL15039505 1.00 DNM1 (0.41) DNM1MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL15039674 0.89 DNM1 (0.46) DNM1MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL15020148 0.89 DNM1 (0.46) DNM1MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL15020149 0.89 DNM1 (0.46) DNM1MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL10046649 0.88 DNM1 (0.58) DNM1MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL15039506 0.88 DNM1 (0.58) DNM1MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL16426685 0.85 DNM1 (0.46) DNM1MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL10046654 0.85 DNM1 (0.46) DNM1MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL20280579 0.85 PABPC1 (0.45) DNM1MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL15039559 0.84 DNM1 (0.41) DNM1MAPTL3MBTL1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2013-10-17 US disclosed
US-20130167307-A1 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) 2013-07-04 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
WO-2012084817-A2 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2012-06-28 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 (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-20130167307-A1 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 KRT18, ADH1A, ADH1C DNM1 1925/4885MAPT 205/4885L3MBTL1 4871/4885
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 DNM1 1690/4885MAPT 254/4885L3MBTL1 4871/4885
US-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE ADH1C, ADH1A, ADH5 DNM1 984/4885MAPT 2944/4885L3MBTL1 3670/4885

“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.