SCHEMBL2198948

SCHEMBL2198948

COc1ccc(C(=O)NCC(O)CO)cc1C(=O)c1ccc(Nc2c(F)cccc2F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
APLNR P35414 3/20 0.40
PDE4D Q08499 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 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
SCHEMBL2198174 0.89 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2201050 0.88 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2199380 0.88 MAPK13 (0.44) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2199008 0.87 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2198484 0.86 POLB (0.46) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2197429 0.86 MAPK13 (0.44) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL6024057 0.84 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2571138 0.83 MAPT (0.49) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2202440 0.83 NPC1 (0.53) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2197983 0.83 NPC1 (0.44) MAPK14MAPK13MAPK12MAPK11NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP claimed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP claimed
JP-2006528597-A 2006-12-21 JP 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
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
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
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP 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.