Sugi Predict

Sugi Predict / Compounds / SCHEMBL406275

SCHEMBL406275

SCHEMBL406275

CN(CCC(=O)OC(C)(C)C)Cc1ccc(C(N)=NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.39
▸ BCHE P06276 3/20 0.39
▸ BMP1 P13497 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ PYCR1 P32322 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL406274 1.00 ACHE (0.39) ACHEBCHEBMP1GAARAB9A
SCHEMBL10170396 1.00 ACHE (0.39) ACHEBCHEBMP1GAARAB9A
SCHEMBL10170441 0.93 SIGMAR1 (0.38) ACHEBCHEBMP1GAARAB9A
SCHEMBL409398 0.93 SIGMAR1 (0.38) ACHEBCHEBMP1GAARAB9A
SCHEMBL409399 0.93 SIGMAR1 (0.38) ACHEBCHEBMP1GAARAB9A
SCHEMBL10170373 0.88 S1PR1 (0.38) ACHEBCHEGAARAB9APYCR1
SCHEMBL409764 0.88 S1PR1 (0.38) ACHEBCHEGAARAB9APYCR1
SCHEMBL409765 0.88 S1PR1 (0.38) ACHEBCHEGAARAB9APYCR1
SCHEMBL407530 0.86 SLC7A5 (0.39) ACHEBCHEBMP1RAB9ASIGMAR1
SCHEMBL407531 0.86 SLC7A5 (0.39) ACHEBCHEBMP1RAB9ASIGMAR1

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 ACHE 2672/4885BCHE 3116/4885BMP1 4294/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ACHE 2672/4885BCHE 3116/4885BMP1 4294/4885

“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.