SCHEMBL2199116

SCHEMBL2199116

O=C(c1cc(OCCCO)ccc1F)c1ccc(Nc2ccc(F)cc2F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
MAP2K1 Q02750 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
HRH3 Q9Y5N1 2/20 0.43
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL2198558 0.94 MAPK14 (0.51) MAPK14MAP2K1MAPK13MAPK12MAPK11
SCHEMBL2199752 0.91 MAPK14 (0.61) MAPK14MAP2K1MAPK13MAPK12MAPK11
SCHEMBL2198500 0.90 MAPK14 (0.45) MAPK14MAP2K1MAPK13MAPK12MAPK11
SCHEMBL2201685 0.86 MAPK14 (0.52) MAPK14MAP2K1MAPK13MAPK12MAPK11
SCHEMBL2198731 0.85 MAPK14 (0.60) MAPK14MAP2K1MAPK13MAPK12MAPK11
SCHEMBL12164691 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2199363 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2202850 0.80 MAPK14 (0.55) MAPK14MAP2K1MAPK13MAPK12MAPK11
SCHEMBL2199515 0.79 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11HRH3
SCHEMBL2201607 0.78 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11

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 697/4885MAP2K1 3022/4885MAPK13 1063/4885

“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.