SCHEMBL405672

SCHEMBL405672

CC(C)(C)[Si](C)(C)OCCOc1ccc(C(N)=NO)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PRSS1 P07477 5/20 0.33
TMPRSS15 P98073 2/20 0.32
KDM1A O60341 2/20 0.32
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31

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
SCHEMBL406155 1.00 RECQL (0.40) RECQLGAARAB9ALMNANPC1
SCHEMBL406156 0.79 THRA (0.34) RAB9ATHRATHRBPRSS1TMPRSS15
SCHEMBL2253176 0.78 GAA (0.39) GAARAB9ATP53MAPTKMT2A
SCHEMBL20117012 0.76 RECQL (0.50) RECQLGAARAB9ALMNANPC1
SCHEMBL29040359 0.76 RECQL (0.50) RECQLGAARAB9ALMNANPC1
SCHEMBL17654450 0.76 GAA (0.62) RECQLGAARAB9ALMNANPC1
SCHEMBL17654454 0.76 GAA (0.62) RECQLGAARAB9ALMNANPC1
SCHEMBL9969768 0.73 RAB9A (0.43) RECQLGAARAB9ALMNANPC1
SCHEMBL12940356 0.73 RAB9A (0.43) RECQLGAARAB9ALMNANPC1
SCHEMBL406833 0.73 AR (0.39)

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
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-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 RECQL 2038/4885GAA 3238/4885RAB9A 4195/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RECQL 2038/4885GAA 3238/4885RAB9A 4195/4885

“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.