SCHEMBL4500948

SCHEMBL4500948

NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
NPC1 O15118 7/20 0.60
RAB9A P51151 6/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
DGAT1 O75907 1/20 0.51
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
F10 P00742 1/20 0.49
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48
MEN1 O00255 2/20 0.48
NFKB1 P19838 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
SCHEMBL6988691 0.84 HTT (0.67) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL20922083 0.83 HTT (0.66) HTTNPC1RAB9AKMT2AL3MBTL1
Bicarbonate SCHEMBL3548870 0.81 HTT (0.61) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL5216754 0.81 HTT (0.63) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL27674823 0.80 HTT (0.59) HTTNPC1RAB9AKMT2AL3MBTL1
Bicarbonate SCHEMBL28763043 0.80 HTT (0.60) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL21479386 0.80 KDM4E (0.75) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL3542492 0.79 MAPT (0.60) HTTNPC1RAB9AKMT2AMAPT
SCHEMBL15546417 0.79 NPC1 (0.69) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4926347 0.79 MAPT (0.67) HTTNPC1RAB9AKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
EP-1893592-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134317-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-12-21 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 (1 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-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 HTT 2402/4885NPC1 655/4885RAB9A 1984/4885

“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.