SCHEMBL2199243

SCHEMBL2199243

COc1ccc(COc2ccc(C)c(C(=O)c3ccc(Nc4ccc(F)cc4C)cc3[N+](=O)[O-])c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
MAPK14 Q16539 3/20 0.44
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
CTSV O60911 5/20 0.42
CTSL P07711 5/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HTT P42858 1/20 0.40
FBP1 P09467 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL2200104 0.94 ALDH1A1 (0.44) ALDH1A1KMT2AHPGDMAPK14CTSV
SCHEMBL2198034 0.85 MAPK14 (0.46) ALDH1A1KMT2AMAPK14MAPK13MAPK12
SCHEMBL2199456 0.83 MAPK14 (0.47) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL2196367 0.83 MAPK13 (0.53) ALDH1A1KMT2AMAPK14MAPK13MAPK12
SCHEMBL2200471 0.80 MAOB (0.47) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL2196584 0.79 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2198632 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2201701 0.79 MAPK14 (0.57) ALDH1A1KMT2AMAPK14MEN1HTT
SCHEMBL2198289 0.77 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2574991 0.76 MAPK14 (0.45) ALDH1A1KMT2AMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 ALDH1A1 88/4885KMT2A 3430/4885HPGD 1490/4885

“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.