SCHEMBL2199410

SCHEMBL2199410

O=C(c1ccc(Nc2c(F)cccc2F)cc1Cl)c1cc(OCCN2CCOCC2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
BRAF P15056 2/20 0.51
MAPK14 Q16539 2/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
KDR P35968 3/20 0.49
EGFR P00533 3/20 0.49
NPC1 O15118 1/20 0.48
EPHX2 P34913 5/20 0.48
SYK P43405 1/20 0.48
MET P08581 1/20 0.47
THRB P10828 1/20 0.47
BTK Q06187 1/20 0.45
NTRK1 P04629 1/20 0.45

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 0.82 MAPK14 (0.58) KDM4EBRAFMAPK14TP53TSHR
SCHEMBL2201020 0.82 HTT (0.41) ALDH1A1BRAFMAPK14KDREGFR
SCHEMBL2199907 0.80 MAPK14 (0.51) KDM4EALDH1A1BRAFMAPK14TP53
SCHEMBL5751039 0.77 MAPK14 (0.61) KDM4EALDH1A1BRAFMAPK14EPHX2
SCHEMBL2197272 0.75 CD274 (0.56) KDM4EALDH1A1TSHREPHX2
SCHEMBL2202011 0.75 MAPK13 (0.45) MAPK14TP53
SCHEMBL6079649 0.75 MAPK14 (0.44) KDM4EALDH1A1BRAFMAPK14TP53
SCHEMBL14578174 0.70 EPHX2 (0.61) KDM4EALDH1A1TP53TSHREPHX2
SCHEMBL11204217 0.70 THRB (0.79) KDM4EALDH1A1TP53TSHRNPC1
SCHEMBL2200292 0.70 MAPK14 (0.60) MAPK14EPHX2

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 KDM4E 1532/4885ALDH1A1 88/4885BRAF 30/4885

“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.