SCHEMBL9968840

SCHEMBL9968840

[2H]c1ccc(-c2noc(-c3ccc(N4CCCCC4C)c(COC)c3)n2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.54
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 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
SCHEMBL27808207 0.87 S1PR1 (0.57) S1PR1TP53POLB
SCHEMBL27851625 0.86 S1PR1 (0.56) S1PR1TP53POLB
SCHEMBL13085287 0.83 S1PR1 (0.53) S1PR1TP53POLB
SCHEMBL19339936 0.83 S1PR1 (0.55) S1PR1TP53POLBRXFP1
SCHEMBL409090 0.83 S1PR1 (0.53) S1PR1TP53POLB
SCHEMBL10246640 0.83 S1PR1 (0.68) S1PR1TP53POLB
SCHEMBL27808182 0.82 S1PR1 (0.55) S1PR1TP53POLB
SCHEMBL13187173 0.81 S1PR1 (0.56) S1PR1TP53POLB
SCHEMBL13187209 0.81 S1PR1 (0.56) S1PR1TP53POLB
SCHEMBL410117 0.81 S1PR1 (0.59) S1PR1TP53POLB

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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 S1PR1 483/4885TP53 2578/4885POLB 1303/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885TP53 4698/4885POLB 1608/4885

“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.