SCHEMBL407254

SCHEMBL407254

COc1cc(C(N)=NO)ccc1CN(C)CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL407253 1.00 RECQL (0.42) RECQLMTNR1AMTNR1BBCHEACHE
SCHEMBL10170407 1.00 RECQL (0.42) RECQLMTNR1AMTNR1BBCHEACHE
SCHEMBL408557 0.87 F10 (0.34) RECQLMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL408556 0.87 F10 (0.34) RECQLMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL10170456 0.87 F10 (0.34) RECQLMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL409041 0.86 HTT (0.37) RECQLMTNR1AMTNR1BALDH1A1HTT
SCHEMBL10170477 0.86 HTT (0.37) RECQLMTNR1AMTNR1BALDH1A1HTT
SCHEMBL410482 0.86 HDAC6 (0.39) RECQLMTNR1AMTNR1B
SCHEMBL410481 0.86 HDAC6 (0.39) RECQLMTNR1AMTNR1B
SCHEMBL10170374 0.86 HDAC6 (0.39) RECQLMTNR1AMTNR1B

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 RECQL 2038/4885MTNR1A 2734/4885MTNR1B 1718/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RECQL 2038/4885MTNR1A 2734/4885MTNR1B 1718/4885

“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.