SCHEMBL15022768

SCHEMBL15022768

O=C1C=C(Nc2ccc(O)cc2)C(=O)C=C1NCCO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.71
▸ MAPT P10636 8/20 0.49
▸ BLM P54132 5/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ EPHB2 P29323 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ APAF1 O14727 5/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ CASP3 P42574 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
SCHEMBL15022915 0.86 DNM1 (0.50) DNM1MAPTBLMMAPK1TDP1
SCHEMBL636416 0.84 DNM1 (1.00) DNM1MAPTBLMMAPK1TDP1
SCHEMBL1435599 0.81 DNM1 (0.45) DNM1MAPTBLMMAPK1TDP1
SCHEMBL5158945 0.80 MAPT (0.51) DNM1MAPTBLMMAPK1RAB9A
SCHEMBL12997204 0.80 DNM1 (0.44) DNM1MAPTBLMMAPK1TDP1
SCHEMBL12997449 0.79 DNM1 (0.43) DNM1MAPTBLMMAPK1TDP1
SCHEMBL10494906 0.79 DNM1 (0.43) DNM1MAPTBLMMAPK1TDP1
SCHEMBL12997462 0.78 DNM1 (0.42) DNM1MAPTBLMMAPK1TDP1
SCHEMBL3476002 0.78 DNM1 (0.42) DNM1MAPTBLMMAPK1TDP1
SCHEMBL13020971 0.76 DNM1 (0.40) DNM1MAPTBLMMAPK1SMN1; SMN2

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 6 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-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

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-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-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.

Send feedback