SCHEMBL3545957

SCHEMBL3545957

O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1nnc(Nc2cccc3ccccc23)o1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.67
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL3541242 0.90 DGAT1 (0.82) DGAT1RAB9ANPC1KMT2AHTT
SCHEMBL3540660 0.90 DGAT1 (0.65) DGAT1
SCHEMBL3538146 0.88 DGAT1 (0.86) DGAT1RAB9ANPC1MAPTLMNA
SCHEMBL3543878 0.87 DGAT1 (0.63) DGAT1
SCHEMBL3547422 0.87 DGAT1 (0.75) DGAT1MAPTMEN1KMT2A
SCHEMBL3544508 0.83 DGAT1 (0.77) DGAT1
SCHEMBL3544811 0.82 DGAT1 (0.72) DGAT1RAB9ANPC1MAPTMEN1
SCHEMBL3546031 0.80 DGAT1 (0.66) DGAT1
SCHEMBL3540411 0.80 DGAT1 (1.00) DGAT1HTT
SCHEMBL3546009 0.80 DGAT1 (0.75) DGAT1RAB9ANPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 DGAT1 1/4885RAB9A 2923/4885NPC1 423/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885RAB9A 2977/4885NPC1 399/4885

“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.