SCHEMBL2774449

SCHEMBL2774449

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
POLB P06746 5/20 0.65
S1PR1 P21453 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL2773623 0.93 MAPT (0.57) MAPTPOLBS1PR1RXFP1TP53
SCHEMBL2772474 0.90 POLB (0.68) MAPTPOLBS1PR1RXFP1TP53
SCHEMBL2773500 0.87 TP53 (0.71) MAPTPOLBS1PR1RXFP1TP53
SCHEMBL2771373 0.87 MAPT (0.48) MAPTPOLBS1PR1RXFP1
SCHEMBL2808359 0.83 POLB (0.57) MAPTPOLBS1PR1RXFP1TP53
SCHEMBL2771910 0.81 POLB (0.61) MAPTPOLBTP53
SCHEMBL2772514 0.80 S1PR1 (0.67) MAPTS1PR1RXFP1TP53
SCHEMBL2773267 0.79 S1PR1 (0.46) MAPTS1PR1GAA
SCHEMBL2774214 0.78 TP53 (0.71) MAPTPOLBS1PR1RXFP1TP53
SCHEMBL3761995 0.78 S1PR1 (1.00) MAPTPOLBS1PR1RXFP1TP53

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 5 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-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP 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 MAPT 3455/4885POLB 1303/4885S1PR1 483/4885

“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.