SCHEMBL2198034

SCHEMBL2198034

Cc1cc(F)ccc1Nc1ccc(C(=O)c2cc(OCCCO)ccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
ALDH3A1 P30838 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 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
SCHEMBL2196584 0.94 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH3A1
SCHEMBL2199456 0.87 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2199243 0.85 ALDH1A1 (0.45) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2198084 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2201701 0.84 MAPK14 (0.57) MAPK14ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2196367 0.83 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11ALDH3A1
SCHEMBL2198632 0.81 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2198289 0.81 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2200104 0.79 ALDH1A1 (0.44) MAPK14MAPTALDH1A1MAPK1TP53
SCHEMBL2203135 0.79 MAPK14 (0.57) MAPK14ALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN claimed
JP-2006528597-A 2006-12-21 JP claimed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN claimed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO claimed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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-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.