SCHEMBL1367711

SCHEMBL1367711

O=C(c1cc2ccccc2[nH]c1=O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.61
DDO Q99489 1/20 0.61
FLT3 P36888 3/20 0.58
SMYD3 Q9H7B4 2/20 0.57
BRD4 O60885 1/20 0.56
KDR P35968 2/20 0.53
CHEK1 O14757 1/20 0.53
PADI4 Q9UM07 2/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
SRD5A2 P31213 1/20 0.52
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 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
SCHEMBL31065665 0.89 BRD4 (0.58) DAODDOFLT3SMYD3BRD4
SCHEMBL29364659 0.87 KDM4E (0.59) DAODDOFLT3SMYD3BRD4
SCHEMBL31394 0.87 KDM4E (0.59) DAODDOFLT3SMYD3BRD4
SCHEMBL29390425 0.85 DAO (0.58) DAODDOFLT3SMYD3BRD4
SCHEMBL16627746 0.85 DAO (0.58) DAODDOFLT3SMYD3BRD4
Hydrochloric Acid SCHEMBL5027809 0.85 KDM4E (0.58) DAODDOFLT3SMYD3BRD4
SCHEMBL5464080 0.85 DAO (0.58) DAODDOFLT3SMYD3BRD4
Fluoride SCHEMBL29664116 0.85 KDM4E (0.58) DAODDOFLT3SMYD3BRD4
SCHEMBL29505966 0.85 DAO (0.58) DAODDOFLT3SMYD3BRD4
SCHEMBL29537 0.85 DAO (0.58) DAODDOFLT3SMYD3BRD4

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 DAO 3402/4885DDO 3116/4885FLT3 733/4885

“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.