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SCHEMBL405072

SCHEMBL405072

CN(CC(=O)OC(C)(C)C)Cc1ccc(C(N)=NO)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ NR1D1 P20393 4/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PYCR1 P32322 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL405071 1.00 LMNA (0.39) LMNAMEN1KMT2AS1PR1NR1D1
SCHEMBL10170446 1.00 LMNA (0.39) LMNAMEN1KMT2AS1PR1NR1D1
SCHEMBL534799 0.92 LMNA (0.41) LMNAMEN1KMT2AS1PR1NR1D1
SCHEMBL534800 0.92 LMNA (0.41) LMNAMEN1KMT2AS1PR1NR1D1
SCHEMBL409765 0.83 S1PR1 (0.38) LMNAS1PR1NR1D1NR1H3MTNR1A
SCHEMBL10170373 0.83 S1PR1 (0.38) LMNAS1PR1NR1D1NR1H3MTNR1A
SCHEMBL409764 0.83 S1PR1 (0.38) LMNAS1PR1NR1D1NR1H3MTNR1A
SCHEMBL13303830 0.81 L3MBTL1 (0.43) LMNANR1H3ALDH1A1KDM4EMTNR1A
SCHEMBL410183 0.80 KDM4E (0.34) S1PR1NR1D1NR1H3ALDH1A1KDM4E
SCHEMBL410184 0.80 KDM4E (0.34) S1PR1NR1D1NR1H3ALDH1A1KDM4E

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 LMNA 4847/4885MEN1 1228/4885KMT2A 3914/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB LMNA 4847/4885MEN1 1228/4885KMT2A 3914/4885

“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.