SCHEMBL2774239

SCHEMBL2774239

COC(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4-c4ccccc4)c(C)c3)n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.59
S1PR3 Q99500 2/20 0.59
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
RARA P10276 3/20 0.47
RARB P10826 3/20 0.47
RARG P13631 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
MAOA P21397 1/20 0.45
BLVRB P30043 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL2771651 0.95 S1PR1 (0.57) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2774919 0.93 S1PR1 (0.64) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2807888 0.91 S1PR1 (0.64) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2773615 0.90 S1PR1 (0.56) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2772255 0.90 S1PR1 (0.64) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL2774429 0.88 S1PR1 (0.60) S1PR1S1PR3NPC1RAB9A
SCHEMBL2773650 0.87 S1PR1 (0.62) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2773257 0.87 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2772143 0.87 S1PR1 (0.58) S1PR1S1PR3NPC1RAB9ARARA
SCHEMBL2773757 0.87 S1PR1 (0.69) S1PR1S1PR3NPC1RAB9ANR1H4

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 483/4885S1PR3 335/4885NPC1 4814/4885

“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.