SCHEMBL3539713

SCHEMBL3539713

Cc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCCCC4)cc3)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.67
MAPT P10636 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3547260 0.92 DGAT1 (0.78) DGAT1
SCHEMBL3543415 0.91 DGAT1 (0.66) DGAT1NPC1RAB9A
SCHEMBL3547301 0.90 DGAT1 (0.64) DGAT1MAPTNPC1RAB9AALDH1A1
SCHEMBL3540512 0.89 DGAT1 (0.68) DGAT1MAPTNPC1RAB9AALDH1A1
SCHEMBL3539478 0.85 DGAT1 (0.61) DGAT1MAPTGAAUSP2
SCHEMBL3539474 0.85 DGAT1 (0.61) DGAT1MAPTGAAUSP2
SCHEMBL4788254 0.84 DGAT1 (0.62) DGAT1MAPTNPC1RAB9AALDH1A1
SCHEMBL3536787 0.82 DGAT1 (0.75) DGAT1NPC1RAB9APKMMAPK1
SCHEMBL3543858 0.81 DGAT1 (0.73) DGAT1ALDH1A1KDM4E
SCHEMBL3539113 0.80 DGAT1 (0.82) DGAT1NPC1RAB9APKMMAPK1

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 1/4885MAPT 2115/4885NPC1 423/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 DGAT1 1/4885MAPT 1986/4885NPC1 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.