SCHEMBL7048013

SCHEMBL7048013

COc1nn(-c2ccc([N+](=O)[O-])c(C)c2)c(=O)o1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.65
MGLL Q99685 4/20 0.51
FAAH O00519 2/20 0.50
HPGD P15428 1/20 0.45
LPL P06858 1/20 0.42
LIPC P11150 1/20 0.42
LIPE Q05469 1/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL4398899 0.88 ABHD16A (0.65) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7040780 0.86 ABHD16A (0.63) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL2701734 0.82 ABHD16A (0.45) ABHD16AMGLLFAAHHPGDLIPC
SCHEMBL2237968 0.80 ABHD16A (0.72) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7043178 0.79 ABHD16A (0.59) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7046511 0.77 ABHD16A (0.57) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7043172 0.77 ABHD16A (0.57) ABHD16AMGLLFAAHLIPCLIPE
SCHEMBL7046507 0.76 ABHD16A (0.56) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6601668 0.75 ABHD16A (0.54) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL2853190 0.73 ABHD16A (0.49) ABHD16AMGLLALDH1A1LMNA

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 1922/4885MGLL 1542/4885FAAH 46/4885
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 62/4885MGLL 10/4885FAAH 142/4885

“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.