SCHEMBL1370973

SCHEMBL1370973

COc1cc(Br)cc2cc(C(=O)c3cc4cc(Br)cc(OC)c4[nH]c3=O)c(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
PIM1 P11309 1/20 0.40
ERN1 O75460 1/20 0.39
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL1366485 0.80 GPR35 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1368857 0.78 MAPT (0.46) CNR2ERN1GRIN2DGRIN3BGRIN1
SCHEMBL830555 0.77 TP53 (0.44) PIM1ERN1GRIN2DGRIN3BGRIN1
SCHEMBL7271023 0.73 CA12 (0.43) PIM1ERN1GRIN2DGRIN3BGRIN1
SCHEMBL1367085 0.72 KDM4E (0.46) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1368676 0.72 GPR35 (0.48) ERN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20559286 0.72 CNR2 (0.53) CNR2ERN1ALDH1A1KDM4EPOLB
SCHEMBL1318287 0.71 RXFP1 (0.37) PIM1ERN1GRIN2DGRIN3BGRIN1
SCHEMBL1366305 0.71 PIM1 (0.43) PIM1ERN1ALDH1A1KDM4EPOLB
SCHEMBL5945907 0.71 CNR2 (0.57) CNR2ALDH1A1KDM4EPOLBGAA

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 CNR2 3645/4885PIM1 1647/4885ERN1 3338/4885

“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.