SCHEMBL2201701

SCHEMBL2201701

Cc1cc(F)ccc1Nc1ccc(C(=O)c2cc(OCCN3CCOCC3)ccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.57
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 2/20 0.43

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
SCHEMBL2203135 0.95 MAPK14 (0.57) MAPK14KDM4ENPC1ALDH1A1RAB9A
SCHEMBL2196902 0.87 MAPK14 (0.60) MAPK14EPHX2
SCHEMBL2198034 0.84 MAPK14 (0.46) MAPK14ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2200292 0.82 MAPK14 (0.60) MAPK14EPHX2
SCHEMBL12164732 0.81 MAPK14 (0.59) MAPK14EPHX2
SCHEMBL2199456 0.79 MAPK14 (0.47) MAPK14ALDH1A1SMN1; SMN2
SCHEMBL2199243 0.79 ALDH1A1 (0.45) MAPK14ALDH1A1MEN1HTTKMT2A
SCHEMBL2196584 0.79 MAPK14 (0.52) MAPK14
SCHEMBL2198632 0.79 MAPK14 (0.53) MAPK14
SCHEMBL2196367 0.77 MAPK13 (0.53) MAPK14NPC1ALDH1A1RAB9ASMN1; 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 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 697/4885KDM4E 1532/4885NPC1 2170/4885

“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.