SCHEMBL2803844

SCHEMBL2803844

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.72
S1PR3 Q99500 2/20 0.72
NR1H4 Q96RI1 3/20 0.57
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL2776514 0.91 S1PR1 (0.76) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL2806793 0.91 S1PR1 (0.71) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL2803300 0.91 S1PR1 (0.72) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL2777186 0.91 S1PR1 (0.72) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL2807917 0.87 S1PR1 (0.69) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL2791385 0.87 S1PR1 (0.67) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL2804397 0.86 S1PR1 (0.81) S1PR1S1PR3NR1H4NPC1MAPT
SCHEMBL2807837 0.86 S1PR1 (0.73) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL410355 0.85 S1PR1 (0.75) S1PR1S1PR3NR1H4
SCHEMBL13187221 0.85 S1PR1 (0.65) S1PR1S1PR3NR1H4NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 S1PR1 483/4885S1PR3 335/4885NR1H4 1784/4885

“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.