SCHEMBL10170441

SCHEMBL10170441

CN(CCCC(=O)OC(C)(C)C)Cc1ccc(/C(N)=N/O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.38
TMEM97 Q5BJF2 8/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
BMP1 P13497 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL409398 1.00 SIGMAR1 (0.38) SIGMAR1TMEM97BCHEACHEGAA
SCHEMBL409399 1.00 SIGMAR1 (0.38) SIGMAR1TMEM97BCHEACHEGAA
SCHEMBL406275 0.93 ACHE (0.39) SIGMAR1TMEM97BCHEACHEGAA
SCHEMBL10170396 0.93 ACHE (0.39) SIGMAR1TMEM97BCHEACHEGAA
SCHEMBL406274 0.93 ACHE (0.39) SIGMAR1TMEM97BCHEACHEGAA
SCHEMBL409765 0.85 S1PR1 (0.38) BCHEACHEGAARAB9ANPC1
SCHEMBL409764 0.85 S1PR1 (0.38) BCHEACHEGAARAB9ANPC1
SCHEMBL10170373 0.85 S1PR1 (0.38) BCHEACHEGAARAB9ANPC1
SCHEMBL406779 0.80 SIGMAR1 (0.49) SIGMAR1TMEM97BCHEACHEKMT2A
SCHEMBL407530 0.80 SLC7A5 (0.39) SIGMAR1BCHEACHERAB9ABMP1

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 11 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-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
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US 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 SIGMAR1 3660/4885TMEM97 2415/4885BCHE 3116/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SIGMAR1 3660/4885TMEM97 2415/4885BCHE 3116/4885

“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.