SCHEMBL829400

SCHEMBL829400

NC(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
PARP1 P09874 3/20 0.39
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 2/20 0.38
CRBN Q96SW2 1/20 0.37
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CTSL P07711 1/20 0.35
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CASP1 P29466 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
SCHEMBL28085635 1.00 DGAT1 (0.45) DGAT1CES2CES1PARP1ROCK2
SCHEMBL7813369 0.82 HSD17B1 (0.44) DGAT1CES2CES1
SCHEMBL4591061 0.82 DGAT1 (0.42) DGAT1CES2CES1PARP1ROCK2
SCHEMBL30995317 0.82 DGAT1 (0.42) DGAT1CES2CES1PARP1ROCK2
SCHEMBL9491069 0.82 DGAT1 (0.42) DGAT1CES2CES1PARP1ROCK2
SCHEMBL811079 0.82 DGAT1 (0.42) DGAT1CES2CES1PARP1ROCK2
Hydrochloric Acid SCHEMBL30995407 0.80 DGAT1 (0.41) DGAT1CES2CES1PARP1ROCK2
SCHEMBL25679030 0.80 DGAT1 (0.50) DGAT1CES2CES1PARP1ROCK2
SCHEMBL4514123 0.80 DGAT1 (0.41) DGAT1CES2CES1PARP1ROCK2
SCHEMBL8727078 0.80 DGAT1 (0.41) DGAT1CES2CES1PARP1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4164891-A1 FLUORESCENT COMPOSITION COMPRISING AT LEAST ONE BENZAZOLE COMPOUND FOR THE SECUREMENT OF PRODUCTS Crime Science Technology (FR) 2023-04-19 EP claimed
WO-2021250358-A1 FLUORESCENT COMPOSITION COMPRISING AT LEAST ONE BENZAZOLE COMPOUND FOR THE SECUREMENT OF PRODUCTS Crime Science Technology (FR) 2021-12-16 WO claimed
CN-112375489-A Screw and processing technology thereof 乐清市徐泰螺钉厂 2021-02-19 CN claimed
CN-105399685-B The alternatively preparation method and applications of the heteroaromatic compounds of property JAK3 and/or JAK1 kinase inhibitors 深圳微芯生物科技有限责任公司 2018-05-22 CN claimed
CN-105732428-A Tetrafluorobenzonitrile production method 江苏维尤纳特精细化工有限公司 2016-07-06 CN claimed
EP-1631995-A2 MANUFACTURE OF A POLYMER DEVICE CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-03-08 EP claimed
WO-2004100282-A2 MANUFACTURE OF A POLYMER DEVICE CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2004-11-18 WO claimed
CN-119192103-A Five-membered heterocyclic amide compound, preparation method and application thereof, and bactericide 贵州大学 2024-12-27 CN disclosed
CN-117800827-A Preparation method of medicine intermediate 2,3,4, 5-tetrafluorobenzoic acid 盐城嘉昊辰科技有限公司 2024-04-02 CN disclosed
EP-3980088-A1 BIOFOULING RESISTANT COATINGS AND METHODS OF MAKING AND USING THE SAME The Regents of the University of California (US) 2022-04-13 EP disclosed
CN-112375489-A Screw and processing technology thereof 乐清市徐泰螺钉厂 2021-02-19 CN disclosed
CN-112375489-A Screw and processing technology thereof 乐清市徐泰螺钉厂 2021-02-19 CN disclosed
WO-2020247629-A1 BIOFOULING RESISTANT COATINGS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO disclosed
US-20070172978-A1 Manufacture of a polymer device CAMBRIDGE UNIVERSITY TECHNICAL SERVICE LIMITED (GB) 2007-07-26 US disclosed
EP-1631995-A2 MANUFACTURE OF A POLYMER DEVICE CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-03-08 EP disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004100282-A2 MANUFACTURE OF A POLYMER DEVICE CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2004-11-18 WO disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 DGAT1 3394/4885CES2 953/4885CES1 2154/4885

“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.