SCHEMBL1366199

SCHEMBL1366199

O=C(c1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O)c1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.82
MAOB P27338 6/20 0.50
MAOA P21397 6/20 0.50
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL28582317 0.90 GPR35 (1.00) GPR35MAOBMAOAHPGD
SCHEMBL1368024 0.84 GPR35 (0.59) GPR35MAOBMAOAALDH1A1CA12
SCHEMBL1367003 0.79 GPR35 (0.79) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1367555 0.78 MAOA (0.54) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL928840 0.78 GPR35 (0.62) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1368742 0.77 GPR35 (0.54) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1983840 0.77 GPR35 (0.68) GPR35
SCHEMBL28575714 0.76 GPR35 (1.00) GPR35ALDH1A1HPGDCA9MAPT
SCHEMBL1367303 0.75 GPR35 (0.59) GPR35MAOBMAOAALDH1A1CA12
SCHEMBL1368002 0.74 GPR35 (0.48) GPR35MAOBMAOAALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US claimed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS GPR35 4874/4885MAOB 2929/4885MAOA 3570/4885

“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.