SCHEMBL410396

SCHEMBL410396

CC(C)(C)OC(=O)CCN(CCO)Cc1cccc(/C(N)=N\O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC7A5 Q01650 1/20 0.37
ACHE P22303 1/20 0.37
MEP1B Q16820 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PARP1 P09874 1/20 0.36
F2 P00734 3/20 0.35
PRSS1 P07477 2/20 0.35
BMP1 P13497 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL410397 1.00 TSHR (0.38) TSHRHSD17B10SLC7A5ACHEMEP1B
SCHEMBL10170390 1.00 TSHR (0.38) TSHRHSD17B10SLC7A5ACHEMEP1B
SCHEMBL10170385 0.91 SLC7A5 (0.38) SLC7A5MEP1BL3MBTL1TDP1RAB9A
SCHEMBL410763 0.91 SLC7A5 (0.38) SLC7A5MEP1BL3MBTL1TDP1RAB9A
SCHEMBL410764 0.91 SLC7A5 (0.38) SLC7A5MEP1BL3MBTL1TDP1RAB9A
SCHEMBL407530 0.86 SLC7A5 (0.39) SLC7A5ACHEMEP1BL3MBTL1TDP1
SCHEMBL9968916 0.86 SLC7A5 (0.39) SLC7A5ACHEMEP1BL3MBTL1TDP1
SCHEMBL407531 0.86 SLC7A5 (0.39) SLC7A5ACHEMEP1BL3MBTL1TDP1
SCHEMBL408596 0.84 HDAC1 (0.41) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL408595 0.84 HDAC1 (0.41) SLC7A5L3MBTL1TDP1RAB9AF2

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 10 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
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 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
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (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
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 TSHR 2360/4885HSD17B10 1058/4885SLC7A5 2990/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB TSHR 2360/4885HSD17B10 1058/4885SLC7A5 2990/4885

“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.