SCHEMBL628189

SCHEMBL628189

O=C=Nc1ccccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD1 P21728 1/20 0.39
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
SLC22A12 Q96S37 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL29648867 1.00 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1DRD1
SCHEMBL15352517 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1HPGDTDP1DRD1
SCHEMBL2894124 0.81 ALDH1A1 (0.43) CYP3A4ALDH1A1HPGDTDP1DRD1
SCHEMBL9623231 0.81 CYP3A4 (0.47) CYP3A4ALDH1A1HPGDTDP1KMT2A
SCHEMBL30940597 0.81 ALDH1A1 (0.43) CYP3A4ALDH1A1HPGDTDP1DRD1
SCHEMBL18245805 0.79 GABRA1 (0.41) CYP3A4ALDH1A1DRD1KMT2ASMN1; SMN2
SCHEMBL1356140 0.78 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL29369823 0.78 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL11471789 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1KMT2A
SCHEMBL9859146 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 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-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 CN disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
CN-1444606-A Olefin polymerization catalyst DU PONT (US) 2003-09-24 CN disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 WO disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
US-4996208-A Pesticidal thiazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
US-4940792-A Herbicidal sulfonylureas CIBA-GEIGY CORPORATION (US) 1990-07-10 US disclosed
US-4764203-A Herbicidal sulfonylureas CIBA-GEIGY CORPORATION (US) 1988-08-16 US disclosed
US-4685961-A CEREAL CROPS CIBA-GEIGY CORPORATION (US) 1987-08-11 US disclosed
EP-0152378-A2 Herbicidal sulfonylureas CIBA-GEIGY AG (CH) 1985-08-21 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 (1 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-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CYP3A4 4040/4885ALDH1A1 3047/4885HPGD 2206/4885

“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.