SCHEMBL410159

SCHEMBL410159

COCc1cc(-c2nc(-c3ccc(C=O)cc3C)no2)ccc1-c1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.60
S1PR3 Q99500 2/20 0.60
NR1H4 Q96RI1 3/20 0.49
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL14916846 0.92 S1PR1 (0.67) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL2774065 0.89 S1PR1 (0.68) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL534902 0.85 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL410385 0.84 S1PR1 (0.69) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL410691 0.83 S1PR1 (0.63) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL320619 0.82 S1PR1 (0.69) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL2806793 0.81 S1PR1 (0.71) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL15905722 0.81 S1PR1 (0.64) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL13187540 0.81 S1PR1 (0.67) S1PR1S1PR3NR1H4NPC1SMN1; SMN2
SCHEMBL320618 0.81 S1PR1 (0.67) S1PR1S1PR3NR1H4NPC1SMN1; 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 310/4885NR1H4 923/4885
US-20120035226-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.