SCHEMBL162206

SCHEMBL162206

O=C=Nc1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CYP3A4 P08684 2/20 0.43
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33
ALB P02768 1/20 0.31
ERN1 O75460 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DAO P14920 1/20 0.31
PARP1 P09874 1/20 0.31
PKM P14618 1/20 0.30
PKLR P30613 1/20 0.30

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
SCHEMBL9630070 0.87 CYP3A4 (0.52) GABRA1GABRB2CYP3A4CES2CES1
SCHEMBL30625397 0.87 CYP3A4 (0.52) GABRA1GABRB2CYP3A4CES2CES1
SCHEMBL29648809 0.85 GABRA1 (0.47) GABRA1GABRB2CYP3A4MAPK1TDP1
SCHEMBL4882890 0.85 GABRA1 (0.47) GABRA1GABRB2CYP3A4CES2CES1
SCHEMBL1950281 0.85 GABRA1 (0.47) GABRA1GABRB2CYP3A4MAPK1TDP1
SCHEMBL3626012 0.85 GABRA1 (0.42) GABRA1GABRB2CYP3A4CES2CES1
SCHEMBL158739 0.82 GABRA1 (0.40) GABRA1GABRB2CYP3A4CES1PARP1
SCHEMBL10614854 0.82 GABRA1 (0.75) GABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL8590726 0.82 CYP3A4 (0.39) GABRA1GABRB2CYP3A4CES2CES1
SCHEMBL694840 0.80 GABRA1 (0.39) GABRA1GABRB2CYP3A4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912405-A Fluothidiazuron derivative and preparation method thereof 河南省科学院高新技术研究中心 2025-05-02 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-104876859-B Pyrrole worm is grand and preparation method thereof 常州佳灵药业有限公司 2018-03-13 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
CN-117886824-B 2, 3-Dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof 四川大学华西医院 2026-05-15 CN disclosed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-20250223263-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2025-07-10 US disclosed
EP-3500257-B1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2025-07-02 EP disclosed
CN-119912405-A Fluothidiazuron derivative and preparation method thereof 河南省科学院高新技术研究中心 2025-05-02 CN disclosed
CN-119908364-A Cotton defoliant containing fluhiuron derivative and application thereof 河南省科学院高新技术研究中心 2025-05-02 CN disclosed
US-12247011-B2 Selective inhibitors of NLRP3 inflammasome NodThera Limited (GB) 2025-03-11 US disclosed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
EP-0683157-A1 Sulfonylaminocarbonyltriazolinones as herbicides BAYER AG (DE) 1995-11-22 EP disclosed
US-5380863-A Herbicidal sulphonylaminocarbonyltriazolinones having substituents which are bonded via sulphur BAYER AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0431291-A2 Sulfonylaminocarbony-triazolinones having substituents attached through sulfur BAYER AG (DE) 1991-06-12 EP disclosed
EP-0422469-A2 Sulfonylaminocarbonyltriazolinones BAYER AG (DE) 1991-04-17 EP disclosed
EP-0290392-A1 N-Benzoyl-N'-trihalogen-haloalkoxyphenylureas, their preparation and their use in pest control CIBA-GEIGY AG (CH) 1988-11-09 EP disclosed
EP-0275558-A1 Perfluoroalkenyloxybenzoic acid derivative, process for preparing the same and prepolymer of the derivative DAIKIN INDUSTRIES, LIMITED (JP) 1988-07-27 EP disclosed
EP-0243790-A1 N-phenyl(thio)ureas and their functional derivatives, processes for their production and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP disclosed
CN-87102802-A N-phenyl (sulphur) urea and functional derivatives thereof prepare their method and they are as the purposes of sterilant 1987-10-28 CN 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-12247011-B2 Selective inhibitors of NLRP3 inflammasome NLRP3, NOD1, NLRP1 GABRA1 2922/4885GABRB2 2882/4885CYP3A4 2832/4885
US-20250223263-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 GABRA1 2922/4885GABRB2 2882/4885CYP3A4 2832/4885

“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.