SCHEMBL1368516

SCHEMBL1368516

COc1ccc(/C=C\C(=O)NC(=O)c2cc3c(OC)cc(OC)cc3oc2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.63
MAOA P21397 8/20 0.63
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
PLIN1 O60240 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
PLIN5 Q00G26 1/20 0.47
KMT2A Q03164 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
TNFRSF1A P19438 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL1368199 1.00 MAOB (0.63) MAOBMAOASMN1; SMN2MAPTKDM4E
SCHEMBL1368197 1.00 MAOB (0.63) MAOBMAOASMN1; SMN2MAPTKDM4E
SCHEMBL1368512 0.89 MAOB (0.61) MAOBMAOASMN1; SMN2MAPTKDM4E
SCHEMBL1369259 0.89 MAOB (0.61) MAOBMAOASMN1; SMN2MAPTKDM4E
SCHEMBL1368510 0.89 MAOB (0.61) MAOBMAOASMN1; SMN2MAPTKDM4E
SCHEMBL1368759 0.86 MAOB (0.81) MAOBMAOAMAPTKDM4EMEN1
SCHEMBL1368389 0.86 MAOB (0.81) MAOBMAOAMAPTKDM4EMEN1
SCHEMBL1368391 0.86 MAOB (0.81) MAOBMAOAMAPTKDM4EMEN1
SCHEMBL1366661 0.86 MAOB (0.63) MAOBMAOASMN1; SMN2MAPTKDM4E
SCHEMBL1367316 0.86 MAOB (0.63) MAOBMAOASMN1; SMN2MAPTKDM4E

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 MAOB 2929/4885MAOA 3570/4885SMN1; SMN2 4848/4885

“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.