SCHEMBL4297133

SCHEMBL4297133

O=c1ccc2ccc(=O)[nH]c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
CA1 P00915 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
F11 P03951 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AOC3 Q16853 1/20 0.42
ADORA1 P30542 1/20 0.41
CRBN Q96SW2 3/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.35

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
SCHEMBL5925814 0.82 CRBN (0.46) CA12CA9CA1CA3CA4
SCHEMBL14754138 0.78 ADORA1 (0.60) CA12CA9CA1CA3CA4
SCHEMBL16631524 0.75 BRD4 (0.48) CA12CA9CA1CA3CA4
SCHEMBL14487784 0.75 CA12 (0.40) CA12CA9CA1CA3CA4
SCHEMBL15829225 0.73 ADORA1 (0.42) CA12CA9CA1CA3CA4
SCHEMBL19586704 0.73 MAPK1 (0.55) CA12CA9CA1CA3CA4
SCHEMBL18080519 0.71 BTK (0.45) CA12CA9CA1CA3CA4
SCHEMBL17951770 0.69 MAPK1 (0.68) CA12CA9CA1CA3CA4
SCHEMBL486486 0.67 PDE3B (0.39) CA12CA9CA1CA3CA4
SCHEMBL8621 0.67 CA12 (1.00) CA12CA9CA1CA3CA4

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-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CA12 4840/4885CA9 4706/4885CA1 4885/4885

“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.