SCHEMBL95409

SCHEMBL95409

[CH2]c1ccc(C(=O)N(C)c2ccccc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
HPGD P15428 2/20 0.44
GPBAR1 Q8TDU6 3/20 0.44
POLB P06746 2/20 0.43
PIK3CA P42336 1/20 0.42
KLK7 P49862 1/20 0.41
TSPO P30536 1/20 0.41
ALDH1A1 P00352 1/20 0.40
OXTR P30559 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 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
SCHEMBL19577308 0.85 GPBAR1 (0.52) TNKSHPGDGPBAR1POLBMEN1
SCHEMBL5320162 0.84 HPGD (0.41) HPGDPOLBKLK7ALDH1A1MEN1
SCHEMBL8812280 0.80 ALDH1A1 (0.53) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL11308740 0.78 HPGD (0.45) TNKSHPGDGPBAR1POLBKLK7
SCHEMBL23675288 0.77 HPGD (0.58) HPGDPOLBALDH1A1RAB9AMEN1
SCHEMBL8442696 0.77 ALDH1A1 (0.48) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL7816426 0.77 TSPO (0.47) HPGDGPBAR1POLBPIK3CAKLK7
SCHEMBL12574308 0.77 TSPO (0.50) GPBAR1POLBPIK3CATSPOALDH1A1
SCHEMBL2974690 0.75 MEN1 (0.66) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL3337507 0.75 GPBAR1 (0.49) TNKSHPGDGPBAR1POLBPIK3CA

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 9 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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US 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 TNKS 341/4885HPGD 2146/4885GPBAR1 1096/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TNKS 3019/4885HPGD 2322/4885GPBAR1 1698/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TNKS 3019/4885HPGD 2322/4885GPBAR1 1698/4885

“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.