SCHEMBL1368564

SCHEMBL1368564

O=C(c1cc2ccccc2oc1=O)c1cc2ccccc2sc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CA1 P00915 2/20 0.57
CA4 P22748 2/20 0.57
CA5A P35218 2/20 0.57
CA7 P43166 2/20 0.57
CA14 Q9ULX7 2/20 0.57
CA5B Q9Y2D0 2/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
TSHR P16473 1/20 0.57
CA6 P23280 1/20 0.57
GPR35 Q9HC97 1/20 0.57
KDM4E B2RXH2 5/20 0.56
CYP1A2 P05177 2/20 0.56
NT5E P21589 1/20 0.56
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
MAOA P21397 3/20 0.50

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
SCHEMBL1366682 0.85 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL29539474 0.85 MAOB (0.77) MAOBCA12CA9CA1CA4
SCHEMBL279860 0.85 MAOB (0.77) MAOBCA12CA9CA1CA4
SCHEMBL28095932 0.78 GAA (0.63) MAOBCA12CA9CA1CA4
SCHEMBL28663146 0.77 KDM4E (0.61) MAOBCA12CA9CA1CA4
SCHEMBL10703662 0.76 FLT3 (0.71) MAOBCA12CA9CA1CA4
SCHEMBL51507 0.76 MAOB (0.73) MAOBCA12CA9CA1CA4
SCHEMBL5562065 0.75 MAOB (0.68) MAOBCA12CA9CA1CA4
SCHEMBL18188893 0.75 MAOB (0.62) MAOBCA12CA9CA1CA4
SCHEMBL34468463 0.75 MAOB (0.77) MAOBCA12CA9CA1CA4

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
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

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 2929/4885CA12 4005/4885CA9 3083/4885

“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.