SCHEMBL3271863

SCHEMBL3271863

O=C(O)C(Nc1ccccc1)=C(Nc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.64
TP53 P04637 1/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 1/20 0.64
CDK9 P50750 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
HSD17B10 Q99714 2/20 0.58
NAPRT Q6XQN6 1/20 0.58
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TGM2 P21980 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
PTPN1 P18031 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL3271860 1.00 EPHX2 (0.64) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL9112963 0.84 NAPRT (0.54) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL9112947 0.84 NAPRT (0.54) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL7416207 0.84 EPHX1 (0.52) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL4214608 0.83 NAPRT (0.57) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL3196733 0.80 ALDH1A1 (0.52) SMN1; SMN2HSD17B10MAPTALDH1A1GAA
SCHEMBL616739 0.79 PTPN11 (0.75) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL57554 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Diphenylurea SCHEMBL133103 0.78 SMN1; SMN2 (1.00) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28977956 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262305-B1 METHOD FOR THE PREPARATION OF ANILINOFUMARATE AND QUINOLINE-2,3-DICARBOXYLIC ACID AMERICAN CYANAMID COMPANY (US) 1990-10-31 EP claimed
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-08-29 US disclosed
US-20210313517-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS UNITED STATES DEPARTMENT OF ENERGY 2021-10-07 US disclosed
EP-2805363-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS University of Southern California (US) 2014-11-26 EP disclosed
US-20130187136-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-07-25 US disclosed
WO-2013110057-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-07-25 WO disclosed
US-7691197-B2 Method of preparing yellow pigments CABOT CORPORATION (US) 2010-04-06 US disclosed
WO-2007047975-A2 METHOD OF PREPARING YELLOW PIGMENTS CABOT CORPORATION (US) 2007-04-26 WO disclosed
US-20070089641-A1 Method of preparing yellow pigments CABOT CORPORATION 2007-04-26 US disclosed
EP-0402561-B1 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID CO (US) 1994-10-05 EP disclosed
EP-0309711-B1 IMPROVED METHOD FOR THE PREPARATION OF ANILINOFUMARATE AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
EP-0402561-A3 PROCESS FOR THE MANUFACTURE OF ANILINOFUMARATE VIA CHLOROMALEATE OR CHLOROFUMARATE OR MIXTURES THEREOF AMERICAN CYANAMID COMPANY (US) 1991-05-29 EP disclosed
EP-0402561-A2 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID COMPANY (US) 1990-12-19 EP disclosed
EP-0262305-B1 METHOD FOR THE PREPARATION OF ANILINOFUMARATE AND QUINOLINE-2,3-DICARBOXYLIC ACID AMERICAN CYANAMID COMPANY (US) 1990-10-31 EP disclosed
EP-0309711-A1 Improved method for the preparation of anilinofumarate AMERICAN CYANAMID COMPANY (US) 1989-04-05 EP disclosed
EP-0262305-A1 Method for the preparation of anilinofumarate and quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-04-06 EP 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 (4 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-20210313517-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS ACE2, ACE, AZI2 EPHX2 1181/4885TP53 3616/4885EPHX1 765/4885
US-20130187136-A1 SYNTHESIS OF AZA-ACENES AS NOVEL N-TYPE MATERIALS FOR ORGANIC ELECTRONICS ACE2, ACE, AZI2 EPHX2 1181/4885TP53 3616/4885EPHX1 765/4885
US-11744150-B2 Synthesis of aza-acenes as novel n-type materials for organic electronics ACE2, ACE, AZI2 EPHX2 1181/4885TP53 3616/4885EPHX1 765/4885
US-20070089641-A1 Method of preparing yellow pigments TYR, NQO2, RB1 EPHX2 851/4885TP53 1199/4885EPHX1 1241/4885

“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.