SCHEMBL1369644

SCHEMBL1369644

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.65
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
ALOX15 P16050 5/20 0.50
F11 P03951 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
PARP1 P09874 1/20 0.46
PDGFRB P09619 1/20 0.46
FLT3 P36888 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
SCHEMBL31422913 0.88 DAO (0.63) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9249785 0.88 DAO (0.63) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1367967 0.86 DAO (0.65) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1369702 0.85 DAO (0.59) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10330650 0.83 DAO (0.56) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1369396 0.81 CA2 (0.47) DAOPDGFRBFLT3
SCHEMBL1369068 0.81 DAO (0.54) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6161066 0.79 ALOX15 (0.69) DAOALOX15GAA
SCHEMBL16767847 0.79 DAO (1.00) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1368520 0.78 PADI4 (0.58) DAO

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 3402/4885GRIN2D 4606/4885GRIN3B 4535/4885

“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.