Sugi Predict

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SCHEMBL1252005

SCHEMBL1252005

COC(=O)c1ccc2nc(-c3c(C)cc(N4CCOCC4)cc3C)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.64
▸ SIRT1 Q96EB6 2/20 0.64
▸ BRD4 O60885 3/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ IGF1R P08069 1/20 0.49
▸ CHEK2 O96017 2/20 0.49
▸ DGAT1 O75907 1/20 0.48
▸ FGFR1 P11362 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1252797 0.89 SIRT2 (0.59) SIRT2SIRT1BRD4HDAC3HDAC7
SCHEMBL1251986 0.84 HDAC3 (0.53) SIRT2SIRT1BRD4HDAC3HDAC7
SCHEMBL1252016 0.81 HDAC3 (0.74) SIRT2SIRT1BRD4HDAC3HDAC7
SCHEMBL1249209 0.79 DGAT1 (0.65) SIRT2SIRT1BRD4HDAC3HDAC7
SCHEMBL31172369 0.78 FGFR1 (0.75) FGFR1FLT1FLT3
SCHEMBL14091610 0.78 SIRT2 (0.54) SIRT2SIRT1BRD4HDAC3HDAC6
SCHEMBL14091561 0.77 SIRT2 (0.53) SIRT2SIRT1BRD4HDAC3HDAC6
SCHEMBL1662773 0.73 SIRT2 (0.72) SIRT2SIRT1HDAC3HDAC6CHEK2
SCHEMBL20982471 0.73 MMP2 (0.78) SIRT2SIRT1BRD4HDAC3HDAC6
SCHEMBL1251010 0.73 CHEK1 (0.45) SIRT2SIRT1IGF1RMAPTMEN1

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 SIRT2 2280/4885SIRT1 2900/4885BRD4 800/4885
US-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 SIRT2 2280/4885SIRT1 2900/4885BRD4 800/4885

“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.