SCHEMBL1367555

SCHEMBL1367555

O=C(c1cc2cccc([N+](=O)[O-])c2oc1=O)c1cc2cccc([N+](=O)[O-])c2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.54
MAOB P27338 4/20 0.52
GPR35 Q9HC97 2/20 0.52
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL11251185 0.90 GPR35 (0.65) MAOAMAOBGPR35CA12CA9
SCHEMBL16976892 0.82 MAOB (0.70) MAOAMAOBGPR35CA12CA9
SCHEMBL1368024 0.79 GPR35 (0.59) MAOAMAOBGPR35CA12CA9
SCHEMBL1366199 0.78 GPR35 (0.82) MAOAMAOBGPR35CA12CA9
SCHEMBL1367029 0.78 MAOA (0.79) MAOAMAOBCA12CA9CA1
SCHEMBL2897463 0.76 GPR35 (0.68) MAOAGPR35ALDH1A1CHRNA7CSNK2A2
SCHEMBL1368567 0.75 MAOA (0.57) MAOAMAOBGPR35CA12CA9
SCHEMBL1368141 0.73 MAOA (0.40) MAOAMAOBGPR35CA12CA9
SCHEMBL9228866 0.73 MAOA (0.50) MAOAMAOBGPR35ALDH1A1CHRNA7
SCHEMBL7828455 0.73 MAOA (0.60) MAOAGPR35GAAALDH1A1CHRNA7

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-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

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 MAOA 3570/4885MAOB 2929/4885GPR35 4874/4885

“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.