SCHEMBL130065

SCHEMBL130065

Cc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 11/20 0.39
BCAT2 O15382 9/20 0.39
GRM2 Q14416 2/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR2 P41597 1/20 0.33
CCR4 P51679 1/20 0.33
MAT2A P31153 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
SCHEMBL4736723 0.91 BCAT1 (0.39) BCAT1BCAT2MAT2A
SCHEMBL21615919 0.91 BCAT1 (0.39) BCAT1BCAT2MAT2A
SCHEMBL2736477 0.90 BCAT1 (0.38) BCAT1BCAT2MAT2A
SCHEMBL2594502 0.90 BCAT1 (0.41) BCAT1BCAT2CYP3A4MAT2A
SCHEMBL10086757 0.88 BCAT1 (0.37) BCAT1BCAT2HTR2AHTR2CHTR2B
SCHEMBL12430766 0.87 BCAT1 (0.37) BCAT1BCAT2CYP3A4MAT2A
SCHEMBL20334530 0.87 BCAT1 (0.36) BCAT1BCAT2CYP3A4MAT2A
SCHEMBL10579206 0.87 BCAT1 (0.35) BCAT1BCAT2MAT2A
SCHEMBL6635645 0.87 BCAT1 (0.35) BCAT1BCAT2CYP3A4MAT2A
SCHEMBL6642902 0.86 CYP1A2 (0.34) BCAT1BCAT2CYP3A4CYP2C19MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 US disclosed
US-9686994-B2 Use of ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant beta vulgaris plants BAYER CROPSCIENCE AG (DE) 2017-06-27 US disclosed
US-20160298129-A1 ALS INHIBITOR HERBICIDE TOLERANT MUTANT PLANTS BAYER CROPSCIENCE NV (BE) 2016-10-13 US disclosed
US-20160208277-A1 ALS INHIBITOR HERBICIDE TOLERANT MUTANT PLANTS BASF AGRICULTURAL SOLUTIONS SEED, US LLC 2016-07-21 US disclosed
US-9370183-B2 Use of ALS inhibitor herbicides for control of unwanted vegetation in ALS inhibitor herbicide tolerant Brassica, such as B. napus, plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-21 US disclosed
US-20160160232-A1 ALS INHIBITOR HERBICIDE TOLERANT MUTANT PLANTS BASF AGRICULTURAL SOLUTIONS SEED, US LLC 2016-06-09 US disclosed
US-9259001-B2 5-phenyl-substituted N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides, and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-20160029629-A1 LAWN GROWTH-PROMOTING AGENT AND METHOD OF USING SAME BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-04 US disclosed
US-9185914-B2 Substituted 5-(cyclohex-2-en-1-yl)-penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)-pent-2-en-4-ines as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9179676-B2 Substituted picolinic acids and pyrimidine-4-carboxylic acids, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-20110152100-A1 METHODS OF INCREASING CROP YIELD AND CONTROLLING THE GROWTH OF WEEDS USING A POLYMER COMPOSITE FILM BAYER CROPSCIENCE LP (US) 2011-06-23 US disclosed
US-20110130288-A1 NOVEL SOLID FORM OF 4-[[(6-CHLOROPYRIDIN-3-YL)METHYL](2,2-DIFLUOROETHYL)AMINO]FURAN-2(5H)-ONE BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110098179-A1 3-AMINO-2-NITRO-SUBSTITUTED BENZOYL DERIVATIVES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-04-28 US disclosed
US-20110053778-A1 2-(3-AMINOBENZOYL)-3-CYCLOPROPYL-3-OXOPROPANENITRILES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-03-03 US disclosed
US-20110053779-A1 2-(3-ALKYLTHIOBENZOYL)CYCLOHEXANEDIONES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-03-03 US disclosed
US-20110045980-A1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
US-20110039696-A1 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFONYL] -OXAZOL-DERIVATIVE, 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFANYL] -OXAZOL-DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOL-4-YMETHYL)SULFINYL]OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 US disclosed
US-7189855-B2 Process for production of phenoxy-substituted 2-pyridone compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-13 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 (12 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-20110053779-A1 2-(3-ALKYLTHIOBENZOYL)CYCLOHEXANEDIONES AND THEIR USE AS HERBICIDES DDT, CBR3, CYP1B1 BCAT1 914/4885BCAT2 650/4885GRM2 156/4885
US-20110130288-A1 NOVEL SOLID FORM OF 4-[[(6-CHLOROPYRIDIN-3-YL)METHYL](2,2-DIFLUOROETHYL)AMINO]FURAN-2(5H)-ONE FBL, AFF4, AFF2 BCAT1 1626/4885BCAT2 1138/4885GRM2 595/4885
US-20160298129-A1 ALS INHIBITOR HERBICIDE TOLERANT MUTANT PLANTS LCT, HACL2, BROX BCAT1 17/4885BCAT2 39/4885GRM2 666/4885
US-20110039696-A1 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFONYL] -OXAZOL-DERIVATIVE, 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFANYL] -OXAZOL-DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOL-4-YMETHYL)SULFINYL]OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS PDXK, STS, SYMPK BCAT1 1118/4885BCAT2 611/4885GRM2 141/4885
US-20110053778-A1 2-(3-AMINOBENZOYL)-3-CYCLOPROPYL-3-OXOPROPANENITRILES AND THEIR USE AS HERBICIDES CBR3, DDT, CNPY3 BCAT1 122/4885BCAT2 102/4885GRM2 764/4885
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO BCAT1 482/4885BCAT2 564/4885GRM2 1059/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 BCAT1 693/4885BCAT2 757/4885GRM2 895/4885
US-20110045980-A1 4-(3-ALKYLTHIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES CYP4X1, PRDX4, PRXL2A BCAT1 980/4885BCAT2 579/4885GRM2 419/4885
US-20160029629-A1 LAWN GROWTH-PROMOTING AGENT AND METHOD OF USING SAME FGF2, FGF1, MKI67 BCAT1 1612/4885BCAT2 1453/4885GRM2 2054/4885
US-20110152100-A1 METHODS OF INCREASING CROP YIELD AND CONTROLLING THE GROWTH OF WEEDS USING A POLYMER COMPOSITE FILM NOTUM, BROX, CROCC BCAT1 1108/4885BCAT2 1509/4885GRM2 3134/4885
US-20160208277-A1 ALS INHIBITOR HERBICIDE TOLERANT MUTANT PLANTS HACL2, LCT, CAT BCAT1 63/4885BCAT2 111/4885GRM2 920/4885
US-20110098179-A1 3-AMINO-2-NITRO-SUBSTITUTED BENZOYL DERIVATIVES AND USE THEREOF AS HERBICIDES CBR3, CBR1, NQO2 BCAT1 141/4885BCAT2 63/4885GRM2 374/4885

“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.