SCHEMBL95452

SCHEMBL95452

[CH2]c1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.74
NR1H4 Q96RI1 2/20 0.74
PPARG P37231 2/20 0.63
PPARA Q07869 2/20 0.63
HTR2C P28335 1/20 0.60
NAMPT P43490 2/20 0.57
MAPK14 Q16539 2/20 0.57
SCN3A Q9NY46 1/20 0.54
TRPV1 Q8NER1 4/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52

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
SCHEMBL20477570 0.87 EPHX2 (0.76) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL20477542 0.86 EPHX2 (0.74) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL3577590 0.86 EPHX2 (0.73) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL27920874 0.86 MAPK14 (0.74) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL28649243 0.84 EPHX2 (0.70) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL17339262 0.84 EPHX2 (0.70) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL27931800 0.83 EPHX2 (0.70) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL28145191 0.83 EPHX2 (0.70) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL22987222 0.83 EPHX2 (0.69) EPHX2NR1H4PPARGPPARAHTR2C
SCHEMBL21490290 0.82 ROCK2 (0.75) EPHX2NR1H4PPARGPPARAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB EPHX2 4180/4885NR1H4 1771/4885PPARG 3915/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 EPHX2 4490/4885NR1H4 1462/4885PPARG 1682/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 EPHX2 4490/4885NR1H4 1462/4885PPARG 1682/4885

“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.