SCHEMBL411396

SCHEMBL411396

COCc1cc(-c2nc(-c3ccc(OCCO)c(F)c3)no2)ccc1-c1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.67
S1PR3 Q99500 2/20 0.67
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2810450 0.90 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL2771776 0.89 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL409793 0.88 S1PR1 (0.59) S1PR1S1PR3KDM4ENPC1ALDH1A1
SCHEMBL2774789 0.88 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL27808247 0.86 S1PR1 (0.73) S1PR1S1PR3NPC1SMN1; SMN2NPSR1
SCHEMBL409297 0.86 S1PR1 (0.66) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL411091 0.85 S1PR1 (0.71) S1PR1S1PR3NPC1SMN1; SMN2NPSR1
SCHEMBL406882 0.84 S1PR1 (0.93) S1PR1S1PR3
SCHEMBL2809467 0.82 S1PR1 (0.64) S1PR1S1PR3NPC1SMN1; SMN2NPSR1
SCHEMBL2771767 0.82 S1PR1 (0.81) S1PR1S1PR3

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 9 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
EP-2241558-A1 Oxadiazole derivatives Merck Serono SA (CH) 2010-10-20 EP 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 310/4885KDM4E 1908/4885

“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.