SCHEMBL98448

SCHEMBL98448

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.36
NQO2 P16083 5/20 0.36
SLC13A5 Q86YT5 1/20 0.36
ADORA1 P30542 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.33
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
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TACR1 P25103 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL98053 0.86 CYP19A1 (0.36) CYP19A1NQO2SLC13A5PTGS2KMT2A
SCHEMBL96434 0.80 CYP19A1 (0.34) CYP19A1NQO2PTGS2KMT2ARXFP1
SCHEMBL96811 0.79 KMT2A (0.38) CYP19A1NQO2ADORA1PTGS2KMT2A
SCHEMBL98475 0.77 CYP19A1 (0.37) CYP19A1NQO2PTGS2KMT2ARXFP1
SCHEMBL97946 0.77 KMT2A (0.36) CYP19A1NQO2ADORA1PTGS2KMT2A
SCHEMBL97090 0.77 CYP19A1 (0.42) CYP19A1NQO2ADORA1KMT2AMAPK1
SCHEMBL98644 0.76 KMT2A (0.46) CYP19A1NQO2ADORA1PTGS2KMT2A
SCHEMBL132509 0.75 CYP19A1 (0.40) CYP19A1NQO2ADORA1KMT2AMAPK1
SCHEMBL97855 0.73 CYP19A1 (0.38) CYP19A1NQO2KMT2AMAPK1TSHR
SCHEMBL97251 0.71 L3MBTL1 (0.40) CYP19A1NQO2KMT2AMAPK1BLM

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 2030/4885SLC13A5 1700/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885SLC13A5 1700/4885

“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.