SCHEMBL96811

SCHEMBL96811

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 5/20 0.36
NQO2 P16083 5/20 0.36
ADORA1 P30542 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 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
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MCL1 Q07820 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LDHA P00338 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
NCOA1 Q15788 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
SCHEMBL97946 0.93 KMT2A (0.36) KMT2ACYP19A1NQO2ADORA1MAPT
SCHEMBL98644 0.88 KMT2A (0.46) KMT2ACYP19A1NQO2ADORA1MAPT
SCHEMBL97855 0.80 CYP19A1 (0.38) KMT2ACYP19A1NQO2MAPTALDH1A1
SCHEMBL97251 0.76 L3MBTL1 (0.40) KMT2ACYP19A1NQO2MAPTALDH1A1
SCHEMBL132509 0.75 CYP19A1 (0.40) KMT2ACYP19A1NQO2ADORA1MAPT
SCHEMBL98053 0.73 CYP19A1 (0.36) KMT2ACYP19A1NQO2ALDH1A1CYP1A2
SCHEMBL97980 0.72 ALDH1A1 (0.41) KMT2ACYP19A1NQO2MAPTALDH1A1
SCHEMBL98449 0.70 CYP19A1 (0.39) KMT2ACYP19A1NQO2ADORA1MAPT
SCHEMBL98162 0.70 CYP19A1 (0.39) KMT2ACYP19A1NQO2MAPTALDH1A1
SCHEMBL98475 0.70 CYP19A1 (0.37) KMT2ACYP19A1NQO2MAPTALDH1A1

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 KMT2A 2732/4885CYP19A1 2763/4885NQO2 2030/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885CYP19A1 2763/4885NQO2 2030/4885

“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.