SCHEMBL2856503

SCHEMBL2856503

COc1ccc(Nc2ccc(C(=O)c3cc(-n4cc(CCO)nn4)ccc3C)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.45
DDX3X O00571 6/20 0.44
P2RX7 Q99572 1/20 0.43
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
NOTUM Q6P988 3/20 0.42
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MIF P14174 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL2852449 0.93 F9 (0.45) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2855225 0.90 F9 (0.46) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2850645 0.90 F9 (0.47) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2853615 0.87 NOTUM (0.50) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2855296 0.87 F9 (0.45) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2860025 0.87 F9 (0.47) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2855133 0.87 F9 (0.47) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2850881 0.87 DDX3X (0.49) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2852561 0.87 NOTUM (0.48) F9DDX3XMAPK13MAPK12MAPK11
SCHEMBL2852790 0.86 DDX3X (0.49) F9DDX3XMAPK13MAPK12MAPK11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP claimed
EP-1828148-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2007-09-05 EP claimed
WO-2006063585-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-22 WO claimed
US-8293772-B2 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2012-10-23 US disclosed
US-8293772-B2 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2012-10-23 US disclosed
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP disclosed
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP disclosed
US-20060128766-A1 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-06-15 US 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-20060128766-A1 Triazole substituted aminobenzophenone compounds NFKBIA, UACA, CYP1B1 F9 3984/4885DDX3X 3101/4885P2RX7 941/4885

“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.