SCHEMBL2775433

SCHEMBL2775433

COC(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4C)c(C)c3)n2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.64
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
NR1H4 Q96RI1 3/20 0.54
S1PR3 Q99500 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 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
GAA P10253 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
SCHEMBL2774025 0.90 S1PR1 (0.74) S1PR1NPC1RAB9ANR1H4SMN1; SMN2
SCHEMBL2804024 0.88 NR1H4 (0.67) S1PR1NPC1RAB9ANR1H4S1PR3
SCHEMBL2771854 0.88 S1PR1 (0.64) S1PR1NPC1RAB9ANR1H4S1PR3
SCHEMBL2771897 0.88 S1PR1 (0.62) S1PR1NPC1RAB9AS1PR3MAPT
SCHEMBL2774919 0.84 S1PR1 (0.64) S1PR1NPC1RAB9ANR1H4S1PR3
SCHEMBL1505301 0.80 NPC1 (0.83) NPC1RAB9ANR1H4SMN1; SMN2MAPT
SCHEMBL2773867 0.80 S1PR1 (0.76) S1PR1NPC1RAB9ANR1H4S1PR3
SCHEMBL27808172 0.79 SLC2A1 (0.58) S1PR1NPC1RAB9ANR1H4SMN1; SMN2
SCHEMBL2771919 0.79 S1PR1 (0.67) S1PR1NPC1RAB9ANR1H4S1PR3
SCHEMBL2771346 0.79 S1PR1 (0.58) S1PR1NPC1RAB9ANR1H4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP 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
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP 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 483/4885NPC1 4814/4885RAB9A 2090/4885

“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.