SCHEMBL3106868

SCHEMBL3106868

COc1ccc2ccc(=O)n(C)c2c1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.44
▸ NQO2 P16083 7/20 0.44
▸ ADORA1 P30542 1/20 0.39
▸ BRPF1 P55201 4/20 0.39
▸ BRD9 Q9H8M2 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ BRD1 O95696 2/20 0.37
▸ BRPF3 Q9ULD4 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ MCL1 Q07820 1/20 0.33

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
SCHEMBL29131019 0.77 CYP19A1 (0.44) CYP19A1NQO2ADORA1MAPTL3MBTL1
SCHEMBL98218 0.76 CYP19A1 (0.54) CYP19A1NQO2ADORA1BRPF1BRD9
SCHEMBL21831553 0.76 CDK4 (0.38) CYP19A1NQO2MAPT
SCHEMBL3099860 0.76 BRPF1 (0.40) BRPF1BRD9CA12BRD4CA9
SCHEMBL3110339 0.72 ALDH1A1 (0.40) CYP19A1NQO2ADORA1BRPF1BRD9
SCHEMBL3113411 0.71 ALDH1A1 (0.55) CYP19A1NQO2ADORA1L3MBTL1RAB9A
SCHEMBL23832583 0.71 CSNK2A2 (0.42) CYP19A1NQO2ADORA1BRD4ALDH1A1
SCHEMBL17576626 0.71 BRPF1 (0.52) ADORA1BRPF1BRD9CA12BRD4
SCHEMBL30665881 0.71 BRPF1 (0.52) ADORA1BRPF1BRD9CA12BRD4
SCHEMBL11274030 0.70 BRPF1 (0.50) CYP19A1NQO2BRPF1BRD9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 11/4885ADORA1 3330/4885

“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.

Send feedback