SCHEMBL96438

SCHEMBL96438

COC(=O)CN1C(=O)SC(Cc2ccc(OC)c3c2ccc(=O)n3C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.54
ALDH1A1 P00352 8/20 0.42
MCL1 Q07820 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1B1 P15121 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP19A1 P11511 1/20 0.31
NQO2 P16083 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
SCHEMBL97990 0.76 CA2 (0.57) PPARGALDH1A1CA2CYP19A1NQO2
SCHEMBL96163 0.68 CA2 (0.46) PPARGALDH1A1GAACA2KDM4E
SCHEMBL97252 0.66 CA2 (0.45) PPARGALDH1A1GAACA2KDM4E
SCHEMBL97090 0.66 CYP19A1 (0.42) ALDH1A1HTTLMNAKMT2AGAA
SCHEMBL98644 0.65 KMT2A (0.46) ALDH1A1KMT2ACYP19A1NQO2
SCHEMBL14438070 0.64 CYP19A1 (0.61) ALDH1A1HTTGAAKDM4ECYP19A1
SCHEMBL97980 0.64 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AKDM4ECYP19A1
SCHEMBL132509 0.64 CYP19A1 (0.40) ALDH1A1HTTLMNAKMT2AGAA
SCHEMBL96811 0.63 KMT2A (0.38) ALDH1A1MCL1KMT2AMEN1CYP19A1
SCHEMBL98448 0.63 CYP19A1 (0.36) ALDH1A1MCL1KMT2ACYP19A1NQO2

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 6 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

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 PPARG 1682/4885ALDH1A1 2458/4885MCL1 3284/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PPARG 1682/4885ALDH1A1 2458/4885MCL1 3284/4885

“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.