SCHEMBL2862040

SCHEMBL2862040

COc1cccc(Nc2ccc(C(=O)c3cc(N)ccc3C)c(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.56
MAPK12 P53778 8/20 0.56
MAPK11 Q15759 8/20 0.56
MAPK14 Q16539 8/20 0.56
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTNR1B P49286 6/20 0.47
MTNR1A P48039 4/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
BLK P51451 1/20 0.44
BTK Q06187 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2855076 0.90 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1906382 0.86 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2854972 0.86 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2859869 0.86 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2850850 0.84 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2856634 0.84 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2861883 0.83 MAPK1 (0.53) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2854379 0.83 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL2853572 0.80 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2858392 0.78 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK13 1436/4885MAPK12 1829/4885MAPK11 919/4885

“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.