SCHEMBL1367964

SCHEMBL1367964

O=C(c1cc2cc(Br)cc(Br)c2sc1=O)c1cc2cc(Br)cc(Br)c2sc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.41
MAOB P27338 8/20 0.40
MAOA P21397 7/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
KMT2A Q03164 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
SCHEMBL1369144 0.83 MAOB (0.42) GPR35MAOBMAOAHPGDHSD17B10
SCHEMBL1366305 0.80 PIM1 (0.43) MAOBMAOAALDH1A1HPGDHSD17B10
SCHEMBL1371071 0.79 ALDH1A1 (0.37) GPR35MAOBMAOAALDH1A1CA12
SCHEMBL1371068 0.79 GPR35 (0.48) GPR35MAOBMAOAALDH1A1CA12
SCHEMBL1367632 0.72 LMNA (0.50) GPR35MAOAALDH1A1HPGDCA12
SCHEMBL1369091 0.69 CASP1 (0.41) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1365752 0.66 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KMT2ANPSR1
SCHEMBL21230557 0.66 CYP2A6 (0.40) GPR35HPGDNPSR1
SCHEMBL1367003 0.66 GPR35 (0.79) GPR35MAOBMAOAALDH1A1HPGD
SCHEMBL1367948 0.66 CA2 (0.50) MAOBMAOAALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.