SCHEMBL2701439

SCHEMBL2701439

CCCCCCCCCCCCCCCCOc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)o1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.49
ACHE P22303 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MGLL Q99685 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
CYP19A1 P11511 4/20 0.40
POLB P06746 1/20 0.40
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDC25B P30305 3/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
LIPC P11150 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL2700152 0.87 ABHD16A (0.69) ABHD16AACHECNR1CNR2MGLL
SCHEMBL2701435 0.84 NPC1 (0.46) ABHD16AACHECNR1CNR2MGLL
SCHEMBL2701734 0.84 ABHD16A (0.45) ABHD16AACHECNR1CNR2MGLL
SCHEMBL2703046 0.83 MGLL (0.57) ABHD16AACHECNR1CNR2MGLL
SCHEMBL2701389 0.82 MGLL (0.53) ABHD16AACHEMGLLFAAHBCHE
SCHEMBL2237968 0.80 ABHD16A (0.72) ABHD16AMGLLHTTL3MBTL1MAPT
SCHEMBL2701417 0.78 ABHD16A (0.44) ABHD16AACHECNR1CNR2MGLL
SCHEMBL2703657 0.78 ABHD16A (0.44) ABHD16AACHECNR1CNR2MGLL
SCHEMBL2702430 0.78 MGLL (0.52) ABHD16AACHEMGLLFAAHBCHE
SCHEMBL2703021 0.78 ABHD16A (0.44) ABHD16AACHECNR1CNR2MGLL

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
EP-1480960-B1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, the production thereof and their use in medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2012-05-09 EP disclosed
US-6900233-B2 Substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadiazol-2-ones, pharmaceutical composition and method for treating obesity thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-31 US disclosed
EP-1480960-A1 SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXADIAZOL-2-ONES, THE PRODUCTION THEREOF AND THEIR USE IN MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-12-01 EP disclosed
US-20030181433-A1 Substituted 3-phenyl-5-alkoxy-3H- (1,3,4)-oxadiazol-2-ones, pharmaceutical composition and method for treating obesity thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-09-25 US disclosed
WO-2003072555-A1 SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXADIAZOL-2-ONES, THE PRODUCTION THEREOF AND THEIR USE IN MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 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-20030181433-A1 Substituted 3-phenyl-5-alkoxy-3H- (1,3,4)-oxadiazol-2-ones, pharmaceutical composition and method for treating obesity thereof PNLIP, LIPC, LPL ABHD16A 103/4885ACHE 243/4885CNR1 1168/4885

“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.