SCHEMBL2771373

SCHEMBL2771373

COC(=O)c1ccc(-c2noc(-c3ccc(N4CCCCC4)c(C)c3)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
RXFP1 Q9HBX9 1/20 0.46
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
S1PR1 P21453 4/20 0.45
S1PR3 Q99500 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2773267 0.92 S1PR1 (0.46) MAPTRARARARBRARGS1PR1
SCHEMBL2777624 0.90 RARA (0.56) MAPTPOLBRXFP1RARARARB
SCHEMBL2774449 0.87 MAPT (0.67) MAPTPOLBRXFP1S1PR1
SCHEMBL2773623 0.85 MAPT (0.57) MAPTPOLBRXFP1S1PR1
SCHEMBL2772710 0.82 RARA (0.55) RARARARBRARGS1PR1S1PR3
SCHEMBL2774919 0.81 S1PR1 (0.64) RARARARBRARGS1PR1S1PR3
SCHEMBL2771651 0.81 S1PR1 (0.57) MAPTRARARARBRARGS1PR1
SCHEMBL2773263 0.80 S1PR1 (0.61) MAPTS1PR1HDAC4HDAC6KDM4E
SCHEMBL2774458 0.79 S1PR1 (0.58) MAPTRARARARBRARGS1PR1
SCHEMBL2772388 0.79 TP53 (0.53) POLBS1PR1

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 1303/4885RXFP1 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.