SCHEMBL3546009

SCHEMBL3546009

O=C(Nc1ccc(N2CCCCC2)cc1)c1nnc(Nc2cccc3ccccc23)o1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.75
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HTT P42858 1/20 0.47
KLF5 Q13887 1/20 0.47

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
SCHEMBL3547422 0.92 DGAT1 (0.75) DGAT1MAPTKMT2A
SCHEMBL3543985 0.90 DGAT1 (0.63) DGAT1NPC1RAB9AMAPTKMT2A
SCHEMBL3536777 0.89 DGAT1 (0.72) DGAT1NPC1RAB9AMAPTPKM
SCHEMBL3539334 0.89 DGAT1 (0.77) DGAT1NPC1RAB9AMAPTPKM
SCHEMBL3541217 0.86 DGAT1 (1.00) DGAT1
SCHEMBL3541808 0.85 DGAT1 (0.98) DGAT1
SCHEMBL3544508 0.81 DGAT1 (0.77) DGAT1
SCHEMBL3545957 0.80 DGAT1 (0.67) DGAT1NPC1RAB9AMAPTKMT2A
SCHEMBL3539713 0.79 DGAT1 (0.67) DGAT1NPC1RAB9AMAPTKMT2A
SCHEMBL3541242 0.79 DGAT1 (0.82) DGAT1NPC1RAB9AKMT2AHTT

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 1/4885NPC1 423/4885RAB9A 2923/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885NPC1 399/4885RAB9A 2977/4885

“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.