SCHEMBL7043879

SCHEMBL7043879

COc1nn(-c2ccc([N+](=O)[O-])cc2C)c(=O)o1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.65
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 5/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
FAAH O00519 2/20 0.41
CYP3A4 P08684 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
SNCA P37840 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7046263 0.86 ABHD16A (0.63) ABHD16AMAPK1SMN1; SMN2MGLLALDH1A1
SCHEMBL2701435 0.82 NPC1 (0.46) ABHD16ANPC1MAPK1SMN1; SMN2MGLL
SCHEMBL2237968 0.80 ABHD16A (0.72) ABHD16ANPC1MGLLALDH1A1TDP1
SCHEMBL7044057 0.79 ABHD16A (0.49) ABHD16AMGLLALDH1A1FAAHABHD6
SCHEMBL7048013 0.75 ABHD16A (0.65) ABHD16AMGLLALDH1A1TSHRFAAH
SCHEMBL10826618 0.72 ABHD16A (0.50) ABHD16ASMN1; SMN2MGLLFAAHABHD6
SCHEMBL7046507 0.71 ABHD16A (0.56) ABHD16AMGLLALDH1A1FAAHLMNA
SCHEMBL4398899 0.70 ABHD16A (0.65) ABHD16AMGLLALDH1A1TDP1FAAH
SCHEMBL7040780 0.69 ABHD16A (0.63) ABHD16AMGLLTDP1FAAH
SCHEMBL3419691 0.69 ALDH1A1 (0.58) NPC1MAPK1SMN1; SMN2ALDH1A1TDP1

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-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 US disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 US 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 (2 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-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals CNR1, PTGER1, CNR2 ABHD16A 1922/4885NPC1 622/4885MAPK1 2083/4885
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE ABHD16A 62/4885NPC1 730/4885MAPK1 1214/4885

“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.