SCHEMBL2855113

SCHEMBL2855113

Cc1ccccc1Nc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2C)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.71
MAPK13 O15264 11/20 0.71
MAPK12 P53778 11/20 0.71
MAPK11 Q15759 11/20 0.71
RORC P51449 2/20 0.57
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2852712 0.89 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL2850856 0.88 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL2859207 0.86 MAPK13 (0.69) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL2852785 0.85 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL2856551 0.85 KMT2A (0.57) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL2866413 0.84 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL6653318 0.84 MAPK13 (0.75) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL1904637 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2856752 0.83 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11RORC
SCHEMBL2197664 0.83 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11MAPT

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 MAPK14 1089/4885MAPK13 1436/4885MAPK12 1829/4885

“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.