SCHEMBL2567641

SCHEMBL2567641

NC(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.71
SLC6A4 P31645 1/20 0.62
SLC6A3 Q01959 1/20 0.62
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
GRM2 Q14416 1/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
IKBKB O14920 2/20 0.48
CHUK O15111 2/20 0.48
CHEK1 O14757 1/20 0.48
FPR1 P21462 1/20 0.47
FPR2 P25090 1/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47

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
Hydrochloric Acid SCHEMBL5797256 0.98 BCAT2 (0.69) BCAT2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL5878337 0.90 BCAT2 (0.87) BCAT2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL30582476 0.88 BCAT2 (0.83) BCAT2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL27588152 0.85 SLC6A3 (0.77) BCAT2SLC6A4SLC6A3GRM2PTGS1
SCHEMBL28231510 0.84 SLC6A3 (0.66) BCAT2SLC6A4SLC6A3PTGS1PTGS2
SCHEMBL31140008 0.84 BCAT2 (0.92) BCAT2IKBKBCHUKCHEK1MAPT
SCHEMBL132986 0.84 BCAT2 (1.00) BCAT2IKBKBCHUKCHEK1MAPT
SCHEMBL29427545 0.84 BCAT2 (1.00) BCAT2IKBKBCHUKCHEK1MAPT
SCHEMBL16149659 0.84 BCAT2 (0.91) BCAT2IKBKBCHEK1MAPTNPC1
SCHEMBL3236362 0.83 BCAT2 (0.63) BCAT2SLC6A4SLC6A3ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
CN-110483496-A One kind has the application of uracil-benzothiazole structure derivative, preparation method and anti-HCV medicament XIXI HOSPITAL OF HANGZHOU 2019-11-22 CN disclosed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
CN-107734969-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-02-23 CN disclosed
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 BCAT2 2941/4885SLC6A4 987/4885SLC6A3 597/4885

“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.