SCHEMBL98218

SCHEMBL98218

COc1cccc2ccc(=O)n(C)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
NQO2 P16083 2/20 0.54
BRPF1 P55201 3/20 0.48
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
CA9 Q16790 1/20 0.48
KAT2B Q92831 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2A6 P11509 1/20 0.46
MAPT P10636 3/20 0.45

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
SCHEMBL12002188 0.80 HTR6 (0.50) CYP19A1NQO2ALDH1A1KDM4EGAA
SCHEMBL2799840 0.79 HTR6 (0.47) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL8559356 0.77 BRPF1 (0.52) CYP19A1NQO2BRPF1CA12BRD4
SCHEMBL3106868 0.76 CYP19A1 (0.44) CYP19A1NQO2BRPF1CA12BRD4
SCHEMBL434941 0.76 CYP19A1 (0.56) CYP19A1NQO2BRPF1BRD4BRD9
SCHEMBL1239206 0.76 CA12 (0.40) BRPF1CA12BRD4CA9KAT2B
SCHEMBL2797396 0.76 HTR6 (0.47) CYP19A1NQO2ALDH1A1KDM4EHPGD
SCHEMBL20502713 0.76 ADRA2A (0.45) BRPF1CA12BRD4CA9KAT2B
SCHEMBL23346692 0.76 BRPF1 (0.50) BRPF1CA12BRD4CA9KAT2B
SCHEMBL3107572 0.76 MAPT (0.50) BRPF1CA12BRD4CA9KAT2B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US claimed
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US disclosed
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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO 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 (4 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 2030/4885BRPF1 106/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 CYP19A1 2698/4885NQO2 11/4885BRPF1 1378/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885BRPF1 106/4885
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT CYP19A1 76/4885NQO2 259/4885BRPF1 1021/4885

“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.