SCHEMBL1367003

SCHEMBL1367003

O=C(c1cc2cc(Br)cc(Br)c2oc1=O)c1cc2cc(Br)cc(Br)c2oc1=O

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.79
MAOB P27338 11/20 0.77
MAOA P21397 7/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 2/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL3080344 0.88 GPR35 (1.00) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL17037289 0.87 MAOB (1.00) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL30110368 0.87 GPR35 (0.74) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL30110196 0.87 MAOB (1.00) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1365882 0.83 MAOB (0.78) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL3087456 0.81 MAOB (0.68) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1368696 0.80 PIM1 (0.61) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL3091303 0.79 MAOB (0.77) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1368742 0.79 GPR35 (0.54) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1366199 0.79 GPR35 (0.82) GPR35MAOBMAOAALDH1A1HPGD

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-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
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 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.