SCHEMBL408595

SCHEMBL408595

CC(C)(C)OC(=O)CCN(Cc1cccc(/C(N)=N\O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SLC7A5 Q01650 1/20 0.38
PTGES O14684 1/20 0.36
F2 P00734 4/20 0.36
PRSS1 P07477 3/20 0.36
BMP1 P13497 1/20 0.35
PPARG P37231 1/20 0.34
BACE1 P56817 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
SCHEMBL408596 1.00 HDAC1 (0.41) HDAC1TDP1L3MBTL1RAB9AHDAC3
SCHEMBL10170383 1.00 HDAC1 (0.41) HDAC1TDP1L3MBTL1RAB9AHDAC3
SCHEMBL9968915 0.89 HDAC1 (0.39) HDAC1TDP1L3MBTL1RAB9AHDAC3
SCHEMBL9968922 0.89 HDAC1 (0.42) HDAC1TDP1L3MBTL1RAB9AHDAC3
SCHEMBL9968923 0.87 HDAC1 (0.43) HDAC1TDP1L3MBTL1RAB9AHDAC3
SCHEMBL9968916 0.87 SLC7A5 (0.39) TDP1L3MBTL1RAB9ASLC7A5F2
SCHEMBL407530 0.87 SLC7A5 (0.39) TDP1L3MBTL1RAB9ASLC7A5F2
SCHEMBL407531 0.87 SLC7A5 (0.39) TDP1L3MBTL1RAB9ASLC7A5F2
SCHEMBL410763 0.85 SLC7A5 (0.38) TDP1L3MBTL1RAB9ASLC7A5F2
SCHEMBL10170385 0.85 SLC7A5 (0.38) TDP1L3MBTL1RAB9ASLC7A5F2

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 6 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
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US 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 HDAC1 212/4885TDP1 1556/4885L3MBTL1 4637/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB HDAC1 212/4885TDP1 1556/4885L3MBTL1 4637/4885

“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.