SCHEMBL436022

SCHEMBL436022

COc1ccc(-c2ccc(NC(=O)c3ccc(OC4CCC(C(=O)O)CC4)cc3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.51
ADORA3 P0DMS8 3/20 0.47
DEGS1 O15121 2/20 0.45
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
VCP P55072 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
SOAT1 P35610 1/20 0.42

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
SCHEMBL436021 1.00 DGAT1 (0.51) DGAT1ADORA3DEGS1LMNANPC1
SCHEMBL460794 0.92 DEGS1 (0.45) DGAT1ADORA3DEGS1LMNANPC1
SCHEMBL460793 0.92 DEGS1 (0.45) DGAT1ADORA3DEGS1LMNANPC1
Bicarbonate SCHEMBL16341096 0.89 LMNA (0.52) DGAT1ADORA3DEGS1LMNANPC1
SCHEMBL433457 0.79 DGAT1 (0.71) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL433456 0.79 DGAT1 (0.71) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL436890 0.79 DGAT1 (0.71) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL435426 0.79 DGAT1 (0.71) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL10185047 0.76 NPC1 (0.55) DGAT1LMNANPC1ALDH1A1RAB9A
SCHEMBL459338 0.75 DGAT1 (0.59) DGAT1LMNANPC1ALDH1A1RAB9A

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 8 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 claimed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US claimed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP claimed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO claimed
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 4152/4885ADORA3 131/4885DEGS1 1665/4885

“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.