SCHEMBL2773263

SCHEMBL2773263

COC(=O)c1ccc(-c2noc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.61
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NOTUM Q6P988 2/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL2806742 0.90 S1PR1 (0.58) S1PR1HDAC4HDAC6NOTUMPDE3B
SCHEMBL2773267 0.88 S1PR1 (0.46) S1PR1HDAC4HDAC6MAPT
SCHEMBL2774190 0.84 S1PR1 (0.64) S1PR1TP53
SCHEMBL2771373 0.80 MAPT (0.48) S1PR1HDAC4HDAC6MAPTSMN1; SMN2
SCHEMBL2772710 0.79 RARA (0.55) S1PR1HDAC4HDAC6SMN1; SMN2
SCHEMBL2806673 0.77 S1PR1 (0.64) S1PR1TP53
SCHEMBL2773710 0.77 NPC1 (0.53) S1PR1HDAC4HDAC6MAPT
SCHEMBL2773528 0.77 S1PR1 (0.64) S1PR1
SCHEMBL2774449 0.77 MAPT (0.67) S1PR1MAPTTP53
SCHEMBL2773026 0.76 S1PR1 (0.61) S1PR1HDAC4HDAC6

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 S1PR1 483/4885HDAC4 694/4885HDAC6 318/4885

“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.