SCHEMBL160626

SCHEMBL160626

O=C=Nc1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
TRPA1 O75762 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.31

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
SCHEMBL10347965 0.82 TDP1 (0.39) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL9837020 0.82 CYP3A4 (0.46) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL7931545 0.79 TDP1 (0.45) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL28565939 0.79 TDP1 (0.41) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL6594425 0.79 TRPV4 (0.47) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL7675744 0.79 KIF11 (0.32) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL26726215 0.78 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL31401921 0.76 CYP3A4 (0.35) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL8485253 0.76 TDP1 (0.43) CYP3A4TDP1ALDH1A1HPGDMAPK1
SCHEMBL1399737 0.75 ABCB11 (0.34) CYP3A4TDP1ALDH1A1HPGD

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-104418773-A Synthetic method of 2,4,5-trifluoro-benzene isocyanate and intermediate thereof KNOWSHINE SHANGHAI PHARMACHEMICALS INC 2015-03-18 CN claimed
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-108753220-B High-temperature-resistant and solvent-resistant phenolic resin film 长春峰泰汽车胶业有限公司 2021-01-05 CN disclosed
CN-106575789-B Electrolyte formulation 野猫技术开发公司 2020-06-02 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
EP-3132487-B1 ELECTROLYTE FORMULATIONS Wildcat discovery technologies inc (US) 2018-11-21 EP disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
US-20110091768-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-04-21 US disclosed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP disclosed
EP-2190054-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2010-05-26 EP disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO 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-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT CYP3A4 2032/4885TRPA1 2026/4885TDP1 4723/4885
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 CYP3A4 1000/4885TRPA1 2525/4885TDP1 1241/4885

“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.