SCHEMBL97528

SCHEMBL97528

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
NQO2 P16083 6/20 0.49
ALDH1A1 P00352 8/20 0.41
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37

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
SCHEMBL17509824 0.78 CYP19A1 (0.70) CYP19A1NQO2ALDH1A1KDM4ETSHR
SCHEMBL14438070 0.78 CYP19A1 (0.61) CYP19A1NQO2ALDH1A1ADORA1KDM4E
SCHEMBL171248 0.76 PTPN1 (0.53) ALDH1A1KDM4ETDP1MAPTHTT
SCHEMBL171247 0.76 PTPN1 (0.53) ALDH1A1KDM4ETDP1MAPTHTT
SCHEMBL2972746 0.75 PTPN1 (0.55)
SCHEMBL96460 0.75 MAPT (0.54) CYP19A1NQO2ALDH1A1KDM4EMAPT
SCHEMBL2972743 0.75 PTPN1 (0.55)
SCHEMBL97090 0.71 CYP19A1 (0.42) CYP19A1NQO2ALDH1A1ADORA1KDM4E
SCHEMBL5022810 0.70 TDP1 (0.45) CYP19A1NQO2ALDH1A1KDM4ETDP1
SCHEMBL132509 0.69 CYP19A1 (0.40) CYP19A1NQO2ALDH1A1ADORA1KDM4E

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 2030/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885ALDH1A1 2458/4885

“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.