SCHEMBL459339

SCHEMBL459339

COC(=O)C1CCC(Oc2ccc(C(=O)Nc3ccc(Nc4ccccc4)nn3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.59
SOAT1 P35610 3/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FAAH O00519 1/20 0.44
EPHX2 P34913 1/20 0.44
EGFR P00533 2/20 0.43
ERBB3 P21860 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL459338 1.00 DGAT1 (0.59) DGAT1SOAT1LMNAALDH1A1NPC1
SCHEMBL433457 0.91 DGAT1 (0.71) DGAT1SOAT1LMNAALDH1A1NPC1
SCHEMBL433456 0.91 DGAT1 (0.71) DGAT1SOAT1LMNAALDH1A1NPC1
Bicarbonate SCHEMBL16341646 0.85 LMNA (0.56) DGAT1LMNAALDH1A1NPC1RAB9A
SCHEMBL14973846 0.84 DGAT1 (0.46) DGAT1SOAT1ALDH1A1FAAHEPHX2
SCHEMBL14973850 0.84 DGAT1 (0.46) DGAT1SOAT1ALDH1A1FAAHEPHX2
SCHEMBL14987730 0.84 DGAT1 (0.46) DGAT1SOAT1ALDH1A1RAB9AFAAH
SCHEMBL461185 0.82 DGAT1 (0.57) DGAT1LMNAALDH1A1NPC1RAB9A
SCHEMBL461184 0.82 DGAT1 (0.57) DGAT1LMNAALDH1A1NPC1RAB9A
SCHEMBL460794 0.81 DEGS1 (0.45) DGAT1LMNAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 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-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L DGAT1 4152/4885SOAT1 3472/4885LMNA 1049/4885

“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.