SCHEMBL411239

SCHEMBL411239

Cc1ccccc1-c1ccc(-c2nc(-c3ccc(CN(C)CC(=O)O)cc3)no2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.55
S1PR3 Q99500 3/20 0.51
NR1H4 Q96RI1 2/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL10170521 0.93 NR1H4 (0.54) S1PR1S1PR3NR1H4NPC1MAPT
SCHEMBL13147542 0.92 S1PR1 (0.52) S1PR1S1PR3NR1H4KDM4EMEN1
SCHEMBL410176 0.91 S1PR1 (0.55) S1PR1S1PR3NR1H4
SCHEMBL557673 0.91 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL558227 0.91 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL409823 0.90 S1PR1 (0.48) S1PR1S1PR3S1PR5
SCHEMBL18901348 0.90 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL10170561 0.90 S1PR1 (0.49) S1PR1S1PR3NR1H4MEN1NPC1
SCHEMBL410899 0.89 S1PR1 (0.68) S1PR1S1PR3NR1H4
SCHEMBL10170571 0.89 S1PR1 (0.63) S1PR1S1PR3NR1H4

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-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US 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 (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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885NR1H4 923/4885

“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.