SCHEMBL2808359

SCHEMBL2808359

O=C(O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
MAPT P10636 4/20 0.55
RXFP1 Q9HBX9 1/20 0.55
S1PR1 P21453 1/20 0.51
GAA P10253 2/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL2772474 0.93 POLB (0.68) POLBMAPTRXFP1S1PR1GAA
SCHEMBL2773623 0.90 MAPT (0.57) POLBMAPTRXFP1S1PR1GAA
SCHEMBL2774449 0.83 MAPT (0.67) POLBMAPTRXFP1S1PR1GAA
SCHEMBL2777624 0.82 RARA (0.56) POLBMAPTRXFP1S1PR1
SCHEMBL2774214 0.80 TP53 (0.71) POLBMAPTRXFP1S1PR1GAA
SCHEMBL2772677 0.76 S1PR1 (0.66) MAPTRXFP1S1PR1
SCHEMBL2772710 0.74 RARA (0.55) S1PR1
SCHEMBL2771373 0.74 MAPT (0.48) POLBMAPTRXFP1S1PR1
SCHEMBL2806742 0.72 S1PR1 (0.58) S1PR1
SCHEMBL2773500 0.72 TP53 (0.71) POLBMAPTRXFP1S1PR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO 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 (1 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 POLB 1303/4885MAPT 3455/4885RXFP1 422/4885

“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.