SCHEMBL96163

SCHEMBL96163

COc1ccc(CCC2SC(=O)NC2=O)c2ccc(=O)n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
PTPN1 P18031 2/20 0.40
CYP19A1 P11511 5/20 0.36
NQO2 P16083 5/20 0.36
MAPT P10636 3/20 0.36
PPARG P37231 2/20 0.34
PRMT1 Q99873 1/20 0.34
MAOA P21397 2/20 0.33
CISD1 Q9NZ45 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL97252 0.94 CA2 (0.45) CA2PTPN1CYP19A1NQO2MAPT
SCHEMBL97990 0.89 CA2 (0.57) CA2PTPN1CYP19A1NQO2MAPT
SCHEMBL98412 0.75 CYP19A1 (0.43) CA2PTPN1CYP19A1NQO2MAPT
SCHEMBL97090 0.74 CYP19A1 (0.42) CYP19A1NQO2MAPTPRMT1KDM4E
SCHEMBL132509 0.72 CYP19A1 (0.40) CYP19A1NQO2MAPTPRMT1KDM4E
SCHEMBL5248487 0.70 CA2 (0.42) CA2PTPN1MAPTPPARGMAOA
SCHEMBL96811 0.69 KMT2A (0.38) CYP19A1NQO2MAPTALDH1A1HSD17B10
SCHEMBL98448 0.69 CYP19A1 (0.36) CYP19A1NQO2MAPTALDH1A1
SCHEMBL97855 0.68 CYP19A1 (0.38) CYP19A1NQO2MAPTKDM4EALDH1A1
SCHEMBL8228771 0.68 CA2 (0.63) CA2PTPN1MAPTPPARGMAOA

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 CA2 254/4885PTPN1 1691/4885CYP19A1 2763/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885PTPN1 1691/4885CYP19A1 2763/4885

“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.