SCHEMBL2237968

SCHEMBL2237968

COc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)o1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.72
MGLL Q99685 2/20 0.59
FAAH O00519 1/20 0.59
LPL P06858 1/20 0.48
LIPC P11150 1/20 0.48
LIPE Q05469 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
ADORA2A P29274 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2235103 0.80 ABHD16A (0.74) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7043879 0.80 ABHD16A (0.65) ABHD16AMGLLFAAHNPC1TDP1
SCHEMBL2701439 0.80 ABHD16A (0.49) ABHD16AMGLLFAAHLIPCLIPE
SCHEMBL7046263 0.79 ABHD16A (0.63) ABHD16AMGLLFAAHMAPTMEN1
SCHEMBL2233406 0.79 ABHD16A (0.72) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7046228 0.79 ABHD16A (0.72) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6551854 0.77 FAAH (0.74) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6551089 0.75 ABHD16A (0.67) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6552566 0.74 MGLL (1.00) ABHD16AMGLLFAAH
SCHEMBL7043178 0.73 ABHD16A (0.59) ABHD16AMGLLFAAHLPLLIPC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299264-B2 Method for producing oxadiazolinone compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20110207936-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-25 US disclosed
EP-2357167-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2011-08-17 EP disclosed
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 (3 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-20110207936-A1 METHOD FOR PRODUCING OXADIAZOLINONE COMPOUND AND INTERMEDIATE THEREOF AHR, CYP1B1, AR ABHD16A 3723/4885MGLL 4777/4885FAAH 2750/4885
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.