SCHEMBL409474

SCHEMBL409474

COCc1cc(-c2nc(-c3cccc(CN(C)CC(=O)OC(C)(C)C)c3)no2)ccc1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.49
S1PR3 Q99500 3/20 0.49
TSHR P16473 3/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.35
TPH1 P17752 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL409957 0.93 S1PR1 (0.50) S1PR1S1PR3TSHRRAB9AKMT2A
SCHEMBL2771358 0.92 S1PR1 (0.51) S1PR1S1PR3KMT2AMEN1ALDH1A1
SCHEMBL2772903 0.92 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL407921 0.91 S1PR1 (0.44) S1PR1S1PR3RAB9ANPC1SMN1; SMN2
SCHEMBL409132 0.91 S1PR1 (0.52) S1PR1S1PR3RAB9ANPC1SMN1; SMN2
SCHEMBL409783 0.90 S1PR1 (0.57) S1PR1S1PR3TSHRRAB9AKMT2A
SCHEMBL409131 0.90 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL408540 0.89 S1PR1 (0.51) S1PR1S1PR3TSHRRAB9AKMT2A
SCHEMBL409651 0.88 S1PR1 (0.51) S1PR1S1PR3RAB9ANPC1HDAC6
SCHEMBL408025 0.87 S1PR1 (0.51) S1PR1S1PR3RAB9ANPC1SMN1; SMN2

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-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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 (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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885TSHR 2360/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885TSHR 2360/4885

“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.