SCHEMBL2199907

SCHEMBL2199907

O=C(c1cc(OCCN2CCOCC2)ccc1F)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 8/20 0.48
BRAF P15056 2/20 0.45
KDR P35968 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2198104 0.87 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2199410 0.80 KDM4E (0.51) MAPK14KDM4ENPC1ALDH1A1EGFR
SCHEMBL2196890 0.79 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL6650756 0.78 MAPK13 (0.71) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL2201141 0.77 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2199173 0.77 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7196619 0.77 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2203135 0.76 MAPK14 (0.57) MAPK14KDM4ENPC1ALDH1A1RAB9A
SCHEMBL2201701 0.75 MAPK14 (0.57) MAPK14KDM4ENPC1ALDH1A1RAB9A
SCHEMBL5751039 0.74 MAPK14 (0.61) MAPK14KDM4EALDH1A1BRAF

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 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.