SCHEMBL408557

SCHEMBL408557

CCc1cc(C(N)=NO)ccc1CN(C)CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.34
GAA P10253 3/20 0.33
RAB9A P51151 2/20 0.33
RECQL P46063 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PARP1 P09874 1/20 0.32
ACACB O00763 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
SLC6A2 P23975 2/20 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
SCHEMBL408556 1.00 F10 (0.34) F10GAARAB9ARECQLMTNR1A
SCHEMBL10170456 1.00 F10 (0.34) F10GAARAB9ARECQLMTNR1A
SCHEMBL535276 0.92 F10 (0.33) F10GAAPARP1MAPTKDM4E
SCHEMBL535275 0.92 F10 (0.33) F10GAAPARP1MAPTKDM4E
SCHEMBL9968914 0.89 MTNR1A (0.36) F10GAARAB9ARECQLMTNR1A
SCHEMBL10170444 0.89 SLC6A2 (0.37) F10RECQLMTNR1AMTNR1BPARP1
SCHEMBL2772719 0.89 MTNR1A (0.36) F10GAARAB9ARECQLMTNR1A
SCHEMBL2772718 0.89 MTNR1A (0.36) F10GAARAB9ARECQLMTNR1A
SCHEMBL408854 0.89 SLC6A2 (0.37) F10RECQLMTNR1AMTNR1BPARP1
SCHEMBL408853 0.89 SLC6A2 (0.37) F10RECQLMTNR1AMTNR1BPARP1

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 F10 4377/4885GAA 3238/4885RAB9A 4195/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB F10 4377/4885GAA 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.