SCHEMBL409330

SCHEMBL409330

COCc1cc(-c2nc(-c3cccc(CC(=O)NCCN(C)C)c3)no2)ccc1-c1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.60
S1PR3 Q99500 2/20 0.60
NR1H4 Q96RI1 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL13145875 0.91 S1PR1 (0.56) S1PR1S1PR3NR1H4
SCHEMBL410483 0.91 S1PR1 (0.62) S1PR1S1PR3NR1H4CYP3A4MAPT
SCHEMBL410555 0.90 S1PR1 (0.66) S1PR1S1PR3NR1H4CYP3A4CYP2C19
SCHEMBL13146062 0.90 S1PR1 (0.65) S1PR1S1PR3NR1H4CYP3A4MAPT
SCHEMBL410689 0.89 S1PR1 (0.66) S1PR1S1PR3NR1H4CYP3A4MAPT
SCHEMBL410958 0.88 S1PR1 (0.70) S1PR1S1PR3NR1H4CYP3A4MAPT
SCHEMBL405200 0.88 S1PR1 (0.59) S1PR1S1PR3NR1H4CYP3A4MAPT
SCHEMBL410355 0.85 S1PR1 (0.75) S1PR1S1PR3NR1H4
SCHEMBL410180 0.84 S1PR1 (0.61) S1PR1S1PR3NR1H4HAVCR2
SCHEMBL2803639 0.83 S1PR1 (0.67) S1PR1S1PR3NR1H4HPGDTSHR

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
EP-2241558-A1 Oxadiazole derivatives Merck Serono SA (CH) 2010-10-20 EP 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.