SCHEMBL97090

SCHEMBL97090

COc1ccc(CCI)c2ccc(=O)n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.42
NQO2 P16083 6/20 0.42
ADORA1 P30542 1/20 0.37
PRMT1 Q99873 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL132509 0.92 CYP19A1 (0.40) CYP19A1NQO2ADORA1PRMT1MAPT
SCHEMBL98448 0.77 CYP19A1 (0.36) CYP19A1NQO2ADORA1MAPTALDH1A1
SCHEMBL96811 0.77 KMT2A (0.38) CYP19A1NQO2ADORA1MAPTALDH1A1
SCHEMBL97855 0.76 CYP19A1 (0.38) CYP19A1NQO2MAPTKDM4EALDH1A1
SCHEMBL97946 0.75 KMT2A (0.36) CYP19A1NQO2ADORA1MAPTALDH1A1
SCHEMBL14438070 0.74 CYP19A1 (0.61) CYP19A1NQO2ADORA1PRMT1MAPT
SCHEMBL97251 0.74 L3MBTL1 (0.40) CYP19A1NQO2MAPTALDH1A1SMN1; SMN2
SCHEMBL96163 0.74 CA2 (0.46) CYP19A1NQO2PRMT1MAPTKDM4E
SCHEMBL98053 0.73 CYP19A1 (0.36) CYP19A1NQO2ALDH1A1HPGDGLA
SCHEMBL98644 0.73 KMT2A (0.46) CYP19A1NQO2ADORA1MAPTALDH1A1

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 8 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-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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885ADORA1 1278/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885ADORA1 1278/4885

“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.