SCHEMBL10046649

SCHEMBL10046649

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.58
RAB9A P51151 5/20 0.41
BLM P54132 4/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPK1 P28482 2/20 0.41
JAK2 O60674 1/20 0.41
EPHB2 P29323 1/20 0.41
APAF1 O14727 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 4/20 0.36
HSP90AA1 P07900 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 2/20 0.36
TDP2 O95551 2/20 0.36
S1PR4 O95977 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL15039506 1.00 DNM1 (0.58) DNM1RAB9ABLMMAPTTDP1
SCHEMBL15039505 0.88 DNM1 (0.41) DNM1RAB9ABLMMAPTTDP1
SCHEMBL10046653 0.88 DNM1 (0.41) DNM1RAB9ABLMMAPTTDP1
SCHEMBL15020041 0.87 DNM1 (0.69) DNM1RAB9ABLMMAPTTDP1
SCHEMBL15020045 0.87 DNM1 (0.69) DNM1RAB9ABLMMAPTTDP1
SCHEMBL15039495 0.87 DNM1 (0.69) DNM1RAB9ABLMMAPTTDP1
SCHEMBL15022708 0.85 DNM1 (0.62) DNM1RAB9ABLMMAPTTDP1
SCHEMBL15022710 0.85 DNM1 (0.62) DNM1RAB9ABLMMAPTTDP1
SCHEMBL22683194 0.83 DNM1 (0.39) DNM1RAB9ABLMMAPTTDP1
SCHEMBL20288338 0.83 DNM1 (0.39) DNM1RAB9ABLMMAPTTDP1

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 1925/4885RAB9A 4089/4885BLM 4855/4885
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 1690/4885RAB9A 3925/4885BLM 4757/4885
US-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE ADH1C, ADH1A, ADH5 DNM1 984/4885RAB9A 2651/4885BLM 1302/4885

“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.