SCHEMBL3399265

SCHEMBL3399265

Cc1cc(N=C=O)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
TRPA1 O75762 1/20 0.53
TDP1 Q9NUW8 4/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PDE4A P27815 1/20 0.42
BLVRB P30043 1/20 0.42
KDR P35968 1/20 0.42
HTT P42858 1/20 0.42
RXRB P28702 2/20 0.41
RXRA P19793 1/20 0.41
PHLPP2 Q6ZVD8 2/20 0.40
GLO1 Q04760 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.38
APP P05067 1/20 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
SCHEMBL31702340 0.85 KMT2A (0.57) TRPA1TDP1MAPK1KMT2AMEN1
SCHEMBL8520930 0.83 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1KMT2A
SCHEMBL2515790 0.82 TRPA1 (0.46) CYP3A4TRPA1TDP1MAPK1KMT2A
SCHEMBL9679696 0.80 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1KMT2A
SCHEMBL12589872 0.79 RXRB (0.45) TDP1MAPK1KMT2AMEN1PDE4A
SCHEMBL16829602 0.79 CYP3A4 (0.42) CYP3A4TRPA1TDP1MAPK1KMT2A
SCHEMBL1516761 0.79 CYP3A4 (0.42) CYP3A4TRPA1TDP1MAPK1KMT2A
SCHEMBL31701516 0.79 TRPA1 (0.58) TRPA1TDP1MAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL10392668 0.79 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1KMT2A
SCHEMBL1099682 0.78 ALDH1A1 (0.54) CYP3A4TRPA1TDP1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445345-B1 BENZAMIDE DERIVATIVES TRANSLATIONAL GENOMICS RES INST (US) 2014-08-27 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-11873432-B2 Luminescent materials including a luminescent benzothiazole, articles including a security feature, and methods of forming luminescent particles including a luminescent benzothiazole HONEYWELL INTERNATIONAL INC. (US) 2024-01-16 US disclosed
EP-3887477-B1 LUMINESCENT MATERIALS INCLUDING A LUMINESCENT BENZOTHIAZOLE, ARTICLES INCLUDING A SECURITY FEATURE, AND METHODS OF FORMING LUMINESCENT PARTICLES INCLUDING A LUMINESCENT BENZOTHIAZOLE HONEYWELL INT INC (US) 2024-01-03 EP disclosed
EP-3481822-B1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND MTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2022-06-22 EP disclosed
EP-3997149-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE Covestro Intellectual Property GmbH & Co. KG (DE) 2022-05-18 EP disclosed
EP-3887477-A1 LUMINESCENT MATERIALS INCLUDING A LUMINESCENT BENZOTHIAZOLE, ARTICLES INCLUDING A SECURITY FEATURE, AND METHODS OF FORMING LUMINESCENT PARTICLES INCLUDING A LUMINESCENT BENZOTHIAZOLE Honeywell International Inc. (US) 2021-10-06 EP disclosed
WO-2021004842-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 WO disclosed
US-20200172803-A1 LUMINESCENT MATERIALS INCLUDING A LUMINESCENT BENZOTHIAZOLE, ARTICLES INCLUDING A SECURITY FEATURE, AND METHODS OF FORMING LUMINESCENT PARTICLES INCLUDING A LUMINESCENT BENZOTHIAZOLE HONEYWELL INTERNATIONAL INC. (US) 2020-06-04 US disclosed
WO-2020113016-A1 LUMINESCENT MATERIALS INCLUDING A LUMINESCENT BENZOTHIAZOLE, ARTICLES INCLUDING A SECURITY FEATURE, AND METHODS OF FORMING LUMINESCENT PARTICLES INCLUDING A LUMINESCENT BENZOTHIAZOLE HONEYWELL INTERNATIONAL INC. (US) 2020-06-04 WO disclosed
EP-3481822-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2019-05-15 EP disclosed
WO-2018009638-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-01-11 WO disclosed
WO-2014141035-A2 FUSED HETEROCYCLYL DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-09-18 WO disclosed
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 EP disclosed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 WO disclosed
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 US disclosed
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 CYP3A4 846/4885TRPA1 485/4885TDP1 4871/4885
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD CYP3A4 1276/4885TRPA1 3216/4885TDP1 918/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 CYP3A4 784/4885TRPA1 264/4885TDP1 4844/4885

“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.