SCHEMBL2197983

SCHEMBL2197983

COc1ccc(C(=O)NC(C)(CO)CO)cc1C(=O)c1ccc(Nc2c(F)cccc2F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
PDE4D Q08499 4/20 0.41
ANO1 Q5XXA6 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
APLNR P35414 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL2199863 0.93 MAPK13 (0.43) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6024057 0.87 MAPK13 (0.41) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2199380 0.86 MAPK13 (0.44) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2198484 0.84 POLB (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2200077 0.84 MAPK13 (0.49) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2200750 0.84 MAPK13 (0.49) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2198769 0.84 MAPK13 (0.49) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2197429 0.84 MAPK13 (0.44) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2198948 0.83 MAPK14 (0.42) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL2571138 0.83 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTHPGD

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 NPC1 2170/4885RAB9A 1123/4885SMN1; SMN2 4625/4885

“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.