SCHEMBL2701435

SCHEMBL2701435

CCCCCCCCCCCCOc1nn(-c2ccc([N+](=O)[O-])cc2C)c(=O)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
ABHD16A O95870 1/20 0.45
CNR1 P21554 2/20 0.44
ACHE P22303 2/20 0.44
CNR2 P34972 2/20 0.44
CYP19A1 P11511 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MGLL Q99685 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL2701439 0.84 ABHD16A (0.49) NPC1ABHD16ACNR1ACHECNR2
SCHEMBL7043879 0.82 ABHD16A (0.65) NPC1ABHD16ASMN1; SMN2MAPK1MGLL
SCHEMBL2700152 0.82 ABHD16A (0.69) ABHD16ACNR1ACHECNR2MGLL
SCHEMBL2701734 0.79 ABHD16A (0.45) ABHD16ACNR1ACHECNR2SMN1; SMN2
SCHEMBL22342651 0.72 CYP19A1 (0.60) NPC1CNR1ACHECNR2CYP19A1
SCHEMBL2703046 0.71 MGLL (0.57) ABHD16ACNR1ACHECNR2TP53
SCHEMBL2701698 0.71 MGLL (0.57) ABHD16ACNR1ACHECNR2TP53
SCHEMBL13478851 0.70 CYP19A1 (0.57) NPC1CNR1ACHECNR2CYP19A1
SCHEMBL2701453 0.70 MGLL (0.44) ABHD16AACHETP53MGLL
SCHEMBL27616651 0.70 CNR1 (0.42) NPC1CNR1ACHECNR2CYP19A1

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 NPC1 684/4885ABHD16A 103/4885CNR1 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.