SCHEMBL15022915

SCHEMBL15022915

Nc1ccc(NC2=CC(=O)C(NCCO)=CC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.50
▸ MAPT P10636 8/20 0.41
▸ BLM P54132 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ FCGR3B O75015 1/20 0.39
▸ FCGR1A P12314 1/20 0.39
▸ FCGR2A P12318 1/20 0.39
▸ L3MBTL1 Q9Y468 6/20 0.38
▸ APAF1 O14727 5/20 0.38
▸ CASP3 P42574 5/20 0.38
▸ SENP8 Q96LD8 5/20 0.38
▸ SENP7 Q9BQF6 5/20 0.38
▸ SENP6 Q9GZR1 5/20 0.38
▸ TDP2 O95551 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPK1 P28482 4/20 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
SCHEMBL15022768 0.86 DNM1 (0.71) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL15039541 0.86 DNM1 (0.40) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL15019811 0.86 DNM1 (0.40) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL1435599 0.80 DNM1 (0.45) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL5158945 0.79 MAPT (0.51) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL12997204 0.79 DNM1 (0.44) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL10494906 0.77 DNM1 (0.43) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL12997449 0.77 DNM1 (0.43) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL16272077 0.77 DNM1 (0.37) DNM1MAPTBLMSMN1; SMN2CYP3A4
SCHEMBL15039789 0.77 DNM1 (0.35) DNM1FCGR3BFCGR1AFCGR2ACA12

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 11 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-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — 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-9233057-B2 Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof L'OREAL (FR) 2016-01-12 — — US disclosed
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-11 — — US disclosed
WO-2014191354-A1 QUINONE DIRECT DYES BEARING A HINDERED ANILINE GROUP, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-04 — — WO 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-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
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 — — WO 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

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 205/4885BLM 4855/4885
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, SQOR, NDUFB7 DNM1 961/4885MAPT 255/4885BLM 2166/4885
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 254/4885BLM 4757/4885

“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.

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