SCHEMBL1252178

SCHEMBL1252178

Nc1ccc(-c2nnc(Nc3ccc(C(F)(F)F)cc3)o2)cc1N

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.66
FLT1 P17948 4/20 0.47
KDR P35968 4/20 0.47
QPCT Q16769 2/20 0.45
SPHK2 Q9NRA0 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1252103 0.86 GSK3B (0.58) GSK3BFLT1KDRNPC1RAB9A
SCHEMBL17377338 0.80 GSK3B (0.75) GSK3BFLT1KDRSPHK2NPC1
SCHEMBL23539988 0.79 GSK3B (0.64) GSK3BFLT1KDRQPCTNPC1
SCHEMBL17377353 0.77 GSK3B (1.00) GSK3BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1251971 0.74 BCL2 (0.52) GSK3BQPCTNPC1RAB9ASMN1; SMN2
SCHEMBL1252154 0.72 GSK3B (0.57) GSK3BFLT1KDRNPC1RAB9A
SCHEMBL11654689 0.72 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL29620971 0.72 GSK3B (0.62) GSK3BFLT1KDRQPCTSPHK2
SCHEMBL28733794 0.72 GSK3B (0.62) GSK3BFLT1KDRQPCTSPHK2
SCHEMBL3903661 0.70 KIF11 (0.61) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205595-B1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2014-09-10 EP disclosed
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 US disclosed
US-20110077277-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-03-31 US disclosed
US-7879850-B2 such as 6-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-2-(2,6-dichloro-phenyl)-1H-benzoimidazole, having diacylglycerol O-acyl transferase inhibitory activity, used for the treatment of impaired glucose tolerance, non-insulin dependent diabetes or obesity NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2205595-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS Novartis Ag (CH) 2010-07-14 EP disclosed
US-20090186891-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-23 US disclosed
WO-2009040410-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2009-04-02 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 (2 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-20110077277-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 GSK3B 4067/4885FLT1 4858/4885KDR 4824/4885
US-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 GSK3B 4067/4885FLT1 4858/4885KDR 4824/4885

“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.