SCHEMBL2201115

SCHEMBL2201115

CC(=O)OCOC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.81
MAPK13 O15264 14/20 0.81
MAPK12 P53778 14/20 0.81
MAPK11 Q15759 14/20 0.81
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6393200 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6402814 0.89 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6402344 0.89 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6401997 0.89 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6400648 0.87 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL6395586 0.86 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6095973 0.84 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7642695 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DHODH
SCHEMBL6393099 0.83 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL6394634 0.83 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US claimed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed
US-8293772-B2 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2012-10-23 US disclosed
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
US-20060128766-A1 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-06-15 US disclosed
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP 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 (2 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 MAPK14 1089/4885MAPK13 1436/4885MAPK12 1829/4885
US-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 MAPK14 697/4885MAPK13 1063/4885MAPK12 955/4885

“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.