SCHEMBL4158394

SCHEMBL4158394

O=C=NC(=O)c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
PBRM1 Q86U86 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PPIA P62937 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7754721 0.87 ALDH1A1 (0.50) GAAPBRM1JAK2JAK1TYK2
SCHEMBL4141953 0.87 CES2 (0.52) GAAJAK2JAK1TYK2CES2
SCHEMBL10875815 0.85 GAA (0.46) GAAPBRM1JAK2JAK1TYK2
SCHEMBL15541038 0.79 TYK2 (0.44) GAATYK2KMT2AALDH1A1LMNA
SCHEMBL10991228 0.79 CES2 (0.44) GAACES2CES1KMT2AMEN1
SCHEMBL11286353 0.79 ALDH1A1 (0.42) JAK2JAK1TYK2KMT2AMEN1
SCHEMBL11274036 0.79 CES2 (0.44) CES2CES1KMT2AMEN1ALDH1A1
SCHEMBL15540354 0.79 ALDH1A1 (0.42) GAAPBRM1JAK2JAK1TYK2
SCHEMBL7218300 0.76 ALDH1A1 (0.39) GAAJAK2JAK1TYK2ALDH1A1
SCHEMBL10646069 0.76 PPIA (0.45) GAACES2CES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003099-B1 N-PHENYL-N'(2-CHLORO-6-FLUORO-BENZOYL) UREA, PREPARATION THEREOF AND USE THEREOF AS INSECTICIDES BAYER AG (DE) 1981-09-16 EP claimed
EP-0003099-A2 N-phenyl-N'(2-chloro-6-fluoro-benzoyl) urea, preparation thereof and use thereof as insecticides BAYER AG (DE) 1979-07-25 EP claimed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 US disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 US disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 US disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 US disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 US disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 US disclosed
US-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 US disclosed
EP-0003099-B1 N-PHENYL-N'(2-CHLORO-6-FLUORO-BENZOYL) UREA, PREPARATION THEREOF AND USE THEREOF AS INSECTICIDES BAYER AG (DE) 1981-09-16 EP disclosed
EP-0009762-B1 SUBSTITUTED N-BENZOYL-N'-TERT.-ALCOXYCARBONYLPHENYL(THIO)UREAS, METHODS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1981-08-05 EP disclosed
EP-0033231-A1 Insecticidal compositions containing 2,6-dihalobenzoylurea derivatives ELI LILLY AND COMPANY (US) 1981-08-05 EP disclosed
US-4281003-A 1-(2-6-Dihalobenzoyl)-3-(5-substituted-2-pyridinyl)urea insecticides and insecticidal method ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4277499-A Combating insects with N-(substituted-phenyl)-N-(2-chloro-6-fluoro-benzoyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1981-07-07 US disclosed
US-4234600-A Combating arthropods with N-benzoyl-N'-tert.-alkoxycarbonylphenyl-(thio) ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-11-18 US disclosed
EP-0009762-A1 Substituted N-benzoyl-N'-tert.-alcoxycarbonylphenyl(thio)ureas, methods for their preparation and their use as insecticides BAYER AG (DE) 1980-04-16 EP disclosed
EP-0003099-A2 N-phenyl-N'(2-chloro-6-fluoro-benzoyl) urea, preparation thereof and use thereof as insecticides BAYER AG (DE) 1979-07-25 EP disclosed
EP-0003099-A2 N-phenyl-N'(2-chloro-6-fluoro-benzoyl) urea, preparation thereof and use thereof as insecticides BAYER AG (DE) 1979-07-25 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-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS GAA 1319/4885PBRM1 3922/4885JAK2 1888/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS GAA 1319/4885PBRM1 3922/4885JAK2 1888/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS GAA 1319/4885PBRM1 3922/4885JAK2 1888/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS GAA 1319/4885PBRM1 3922/4885JAK2 1888/4885

“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.