SCHEMBL508428

SCHEMBL508428

Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
F2RL3 Q96RI0 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN5A Q14524 4/20 0.42
CYP1A2 P05177 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GCGR P47871 4/20 0.40
MCHR1 Q99705 1/20 0.39
TDP2 O95551 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
ACP1 P24666 1/20 0.39

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
SCHEMBL2424125 0.89 MAPT (0.44) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL2424022 0.87 MAPT (0.42) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL2422616 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL2424704 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL508983 0.86 MAPT (0.45) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL21377196 0.86 MAPT (0.48) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL5549267 0.85 MAPT (0.44) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL2430111 0.84 GCGR (0.47) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL14445954 0.84 GCGR (0.42) MAPTMAPK1KDM4EGAAF2RL3
SCHEMBL11962167 0.84 MEN1 (0.49) MAPTMAPK1KDM4EL3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES ACKERMANN JEAN 2011-09-29 US disclosed
CN-1946698-B Pyrazole phenyl derivatives as ppar activators HOFFMANN LA ROCHE 2010-12-01 CN disclosed
US-20100035953-A1 Pyrazole Phenyl Derivatives ACKERMANN JEAN 2010-02-11 US disclosed
EP-1742923-B1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
CN-1946698-A Pyrazole phenyl derivatives as ppar activators HOFFMANN LA ROCHE (CH) 2007-04-11 CN disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1742923-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005105754-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245589-A1 Pyrazole phenyl derivatives HOFFMANN-LA ROCHE INC. 2005-11-03 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (5 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-20100035953-A1 Pyrazole Phenyl Derivatives PPARD, PPARG, PPARA MAPT 4133/4885MAPK1 1985/4885KDM4E 2549/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA MAPT 4133/4885MAPK1 1985/4885KDM4E 2549/4885
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 MAPT 1533/4885MAPK1 3399/4885KDM4E 3095/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA MAPT 4133/4885MAPK1 1985/4885KDM4E 2549/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MAPT 3559/4885MAPK1 2530/4885KDM4E 2145/4885

“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.