SCHEMBL409042

SCHEMBL409042

CN(CC(=O)OC(C)(C)C)Cc1ccc(C(N)=NO)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
F10 P00742 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
EPHX2 P34913 2/20 0.32
NR1H4 Q96RI1 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.32
PARP1 P09874 1/20 0.32
PYCR1 P32322 1/20 0.32
BUB1 O43683 1/20 0.32
SCN9A Q15858 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
SCHEMBL409041 1.00 HTT (0.37) HTTNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL10170477 1.00 HTT (0.37) HTTNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL408853 0.92 SLC6A2 (0.37) HTTNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL408854 0.92 SLC6A2 (0.37) HTTNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL10170444 0.92 SLC6A2 (0.37) HTTNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL408557 0.88 F10 (0.34) SLC6A2SLC6A4SLC6A3F10LMNA
SCHEMBL408556 0.88 F10 (0.34) SLC6A2SLC6A4SLC6A3F10LMNA
SCHEMBL10170456 0.88 F10 (0.34) SLC6A2SLC6A4SLC6A3F10LMNA
SCHEMBL410481 0.87 HDAC6 (0.39) F10RECQLEPHX2NR1H4MTNR1A
SCHEMBL410482 0.87 HDAC6 (0.39) F10RECQLEPHX2NR1H4MTNR1A

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 HTT 4073/4885NPSR1 3160/4885SLC6A2 4190/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB HTT 4073/4885NPSR1 3160/4885SLC6A2 4190/4885

“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.