SCHEMBL1369396

SCHEMBL1369396

O=C(c1cc2ccc(O)cc2[nH]c1=O)c1cc2ccc(O)cc2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
DAO P14920 5/20 0.45
DDO Q99489 3/20 0.45
FLT3 P36888 5/20 0.44
PDGFRB P09619 2/20 0.43
ABL1 P00519 1/20 0.43
KIT P10721 1/20 0.43
BCR P11274 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
PDGFRA P16234 1/20 0.41
TYR P14679 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL4344151 0.86 FLT3 (0.61) CA2DAOFLT3PDGFRBABL1
SCHEMBL1369644 0.81 DAO (0.65) DAOFLT3PDGFRB
SCHEMBL1367711 0.78 DAO (0.61) DAODDOFLT3PDGFRBPDGFRA
SCHEMBL1367551 0.77 KDM4E (0.62) CA2FLT3PDGFRBPDGFRA
SCHEMBL1038241 0.76 BRD4 (0.59) CA2DAODDOFLT3HRH4
SCHEMBL831447 0.74 CA2 (0.54) CA2DAODDOFLT3HRH4
SCHEMBL27576848 0.73 KDM4E (0.65)
SCHEMBL16236492 0.72 FLT3 (0.53) CA2DAOFLT3PDGFRBABL1
SCHEMBL252706 0.71 CA12 (0.54) CA2FLT3PDGFRBABL1KIT
SCHEMBL29487486 0.71 CA12 (0.54) CA2FLT3PDGFRBABL1KIT

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 5 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
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 CA2 3563/4885DAO 3402/4885DDO 3116/4885

“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.