SCHEMBL1366020

SCHEMBL1366020

O=C(Cc1ccc(Cl)cc1Cl)c1cc2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
ALOX15 P16050 4/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
IDH1 O75874 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 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
SCHEMBL1368542 0.90 RXFP1 (0.45) DAOERCC1ERCC4ALDH1A1MAPK1
SCHEMBL1369068 0.84 DAO (0.54) DAOALOX15MAPK1GRIN2DGRIN3B
SCHEMBL1369702 0.83 DAO (0.59) DAOALOX15GRIN2DGRIN3BGRIN1
SCHEMBL1367456 0.79 DAO (0.46) DAOALOX15GRIN2DGRIN3BGRIN1
SCHEMBL1369644 0.78 DAO (0.65) DAOALOX15GRIN2DGRIN3BGRIN1
SCHEMBL1367610 0.78 GAA (0.47) ERCC1ERCC4ALDH1A1GAA
SCHEMBL9249785 0.77 DAO (0.63) DAOALOX15ALDH1A1MAPK1GRIN2D
SCHEMBL31422913 0.77 DAO (0.63) DAOALOX15ALDH1A1MAPK1GRIN2D
SCHEMBL1368535 0.77 ALDH1A1 (0.51) DAOALDH1A1TP53GAA
SCHEMBL1366882 0.76 DAO (0.42) DAOALOX15ALDH1A1MAPK1GRIN2D

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 3402/4885ALOX15 3916/4885ERCC1 1952/4885

“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.