SCHEMBL2199456

SCHEMBL2199456

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.47
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
HSPB1 P04792 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2198289 0.94 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2198034 0.87 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2199137 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2199243 0.83 ALDH1A1 (0.45) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2196584 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2196367 0.81 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL2199709 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11HSPB1
SCHEMBL2198632 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2201701 0.79 MAPK14 (0.57) MAPK14ALDH1A1SMN1; SMN2
SCHEMBL2200104 0.77 ALDH1A1 (0.44) MAPK14MAPTALDH1A1MAPK1SMN1; 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 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.