SCHEMBL7043198

SCHEMBL7043198

COc1nn(-c2cccc(OCc3ccc(F)cc3)c2[N+](=O)[O-])c(=O)o1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.49
HPD P32754 5/20 0.45
MGLL Q99685 5/20 0.41
FAAH O00519 3/20 0.41
MGMT P16455 1/20 0.39
CYP19A1 P11511 2/20 0.38
BCHE P06276 1/20 0.38
LIPC P11150 1/20 0.38
ACHE P22303 1/20 0.38
LIPE Q05469 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL7043172 0.80 ABHD16A (0.57) ABHD16AMGLLFAAHCYP19A1BCHE
SCHEMBL7046310 0.73 ABHD16A (0.61) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL7046376 0.73 ABHD16A (0.52) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL7046290 0.71 ABHD16A (0.59) ABHD16AMGLLFAAHCYP19A1BCHE
SCHEMBL2237059 0.68 ABHD16A (0.60) ABHD16AMGLLFAAH
SCHEMBL3873841 0.68 CYP19A1 (0.51) HPDCYP19A1KMT2A
SCHEMBL30449234 0.68 CYP19A1 (0.51) HPDCYP19A1KMT2A
SCHEMBL2701503 0.68 BCHE (0.42) ABHD16AMGLLCYP19A1BCHELIPC
SCHEMBL11621778 0.68 ABHD16A (0.52) ABHD16AMGLLFAAHLIPCLIPE
SCHEMBL7045850 0.67 MGLL (0.72) ABHD16AMGLLFAAHBCHELIPC

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 1922/4885HPD 1458/4885MGLL 1542/4885
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 62/4885HPD 134/4885MGLL 10/4885

“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.