SCHEMBL1365882

SCHEMBL1365882

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

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.78
MAOA P21397 3/20 0.78
F12 P00748 8/20 0.64
GPR35 Q9HC97 5/20 0.56
HPGD P15428 2/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL1367003 0.83 GPR35 (0.79) MAOBMAOAGPR35HPGDALDH1A1
SCHEMBL1367802 0.83 GPR35 (0.79) MAOBMAOAF12GPR35HPGD
SCHEMBL1368742 0.76 GPR35 (0.54) MAOBMAOAGPR35HPGDPOLB
SCHEMBL30110368 0.74 GPR35 (0.74) MAOBMAOAGPR35HPGDALDH1A1
SCHEMBL830434 0.74 CA12 (0.59) MAOBMAOAF12GPR35HPGD
SCHEMBL19665842 0.73 MCL1 (0.57) MAOBMAOAF12GPR35HPGD
SCHEMBL30110303 0.72 GPR35 (0.77) MAOBMAOAF12GPR35HPGD
SCHEMBL9068668 0.72 GPR35 (1.00) MAOBMAOAF12GPR35HPGD
SCHEMBL3080344 0.72 GPR35 (1.00) MAOBMAOAGPR35HPGDALDH1A1
SCHEMBL52311 0.72 HPGD (0.69) MAOBMAOAF12GPR35HPGD

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 MAOB 2929/4885MAOA 3570/4885F12 2322/4885

“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.