SCHEMBL7046263

SCHEMBL7046263

COc1nn(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)o1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.63
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 2/20 0.46
MGLL Q99685 4/20 0.43
GAA P10253 3/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL7043879 0.86 ABHD16A (0.65) ABHD16AALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL11266241 0.81 MEN1 (0.55) ABHD16AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7044246 0.80 ABHD16A (0.48) ABHD16AALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL2237968 0.79 ABHD16A (0.72) ABHD16AALDH1A1MAPTLMNAHTT
SCHEMBL11505896 0.79 MAPT (0.42) ABHD16AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11618467 0.76 FAAH (0.55) ABHD16AMGLLFAAH
SCHEMBL11869836 0.75 MAPT (0.39) ABHD16AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11619464 0.73 ABHD16A (0.49) ABHD16AALDH1A1MAPTLMNAMAPK1
SCHEMBL11620913 0.71 MGLL (0.50) ABHD16AMGLLFAAHABHD6
SCHEMBL20278368 0.71 HSD17B10 (0.47) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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 1922/4885ALDH1A1 664/4885MAPT 4852/4885
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 62/4885ALDH1A1 61/4885MAPT 4762/4885

“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.