SCHEMBL419490

SCHEMBL419490

Cc1ccc(N=C=O)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.63
TRPA1 O75762 1/20 0.63
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 6/20 0.35
CYP1A2 P05177 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MTOR P42345 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL423672 0.84 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL58809 0.81 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11517806 0.81 MAPK1 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL30016097 0.80 P2RY6 (0.41) CYP3A4TRPA1TDP1MEN1KMT2A
SCHEMBL9859142 0.80 P2RY6 (0.41) CYP3A4TRPA1TDP1MEN1KMT2A
SCHEMBL2156677 0.79 MAPK1 (0.50) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL29737260 0.78 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL29350148 0.78 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL15384 0.78 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL28174227 0.78 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350596-A Polyurethane composite material, polyurethane and preparation method thereof 万华化学集团股份有限公司 2025-01-24 CN claimed
CN-119350596-A Polyurethane composite material, polyurethane and preparation method thereof 万华化学集团股份有限公司 2025-01-24 CN disclosed
US-8940778-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2015-01-27 US disclosed
US-8642776-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2014-02-04 US disclosed
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC (US) 2013-09-19 US disclosed
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. (US) 2013-01-31 US disclosed
US-8299243-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2012-10-30 US disclosed
EP-2246333-B1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2012-10-24 EP disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
CN-102417487-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB 2012-04-18 CN disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABBOTT LABORATORIES 2004-11-25 US disclosed
US-20030186320-A1 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2003-10-02 US disclosed
CN-1030682-C Method for preparating N-aryl-3-aryl-4.5-dihydro-IH-pyrazole-l-carboxamides ROHM AND HASS CORP (US) 1996-01-17 CN disclosed
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
CN-85101497-A Process for the preparation of N-aryl-3-aryl-4, 5-dihydro-1H-pyrazole-1-carboxamides 1986-07-16 CN disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 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 (5 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-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CYP3A4 793/4885TRPA1 2124/4885TDP1 2697/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK CYP3A4 793/4885TRPA1 2124/4885TDP1 2697/4885
US-20030186320-A1 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries CDK15, CUL5, UTS2R CYP3A4 1889/4885TRPA1 3148/4885TDP1 1287/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 CYP3A4 576/4885TRPA1 3216/4885TDP1 1978/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CYP3A4 793/4885TRPA1 2124/4885TDP1 2697/4885

“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.