SCHEMBL406156

SCHEMBL406156

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PRSS1 P07477 9/20 0.33
TMPRSS15 P98073 7/20 0.33
EGFR P00533 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32

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
SCHEMBL405672 0.79 RECQL (0.40) THRATHRBKCNQ3KCNQ2RAB9A
SCHEMBL406155 0.79 RECQL (0.40) THRATHRBKCNQ3KCNQ2RAB9A
SCHEMBL23578552 0.78 THRA (0.49) THRATHRBRAB9AKMT2AF2
SCHEMBL29973327 0.78 THRA (0.49) THRATHRBRAB9AKMT2AF2
SCHEMBL13139436 0.76 THRA (0.56) THRATHRB
SCHEMBL2253176 0.76 GAA (0.39) RAB9AKMT2A
SCHEMBL406833 0.73 AR (0.39)
SCHEMBL4500436 0.72 BACE1 (0.38)
SCHEMBL2326653 0.72 HTT (0.57) KCNQ3KCNQ2RAB9AKMT2A
SCHEMBL1872935 0.71 CYP1A2 (0.33)

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 THRA 4631/4885THRB 3988/4885KCNQ3 1217/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB THRA 4631/4885THRB 3988/4885KCNQ3 1217/4885

“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.