SCHEMBL410482

SCHEMBL410482

CN(CC(=O)OC(C)(C)C)Cc1ccc(C(N)=NO)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HDAC1 Q13547 7/20 0.36
LTA4H P09960 1/20 0.36
RIPK1 Q13546 2/20 0.36
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
RECQL P46063 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL410481 1.00 HDAC6 (0.39) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL10170374 1.00 HDAC6 (0.39) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL2772719 0.92 MTNR1A (0.36) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL9968914 0.92 MTNR1A (0.36) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL2772718 0.92 MTNR1A (0.36) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL409217 0.89 HDAC6 (0.37) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL409172 0.89 HDAC6 (0.37) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL10170398 0.89 HDAC6 (0.37) HDAC6HDAC4HDAC7HDAC11HDAC8
SCHEMBL408557 0.88 F10 (0.34) MTNR1AMTNR1BHDAC1HDAC2RECQL
SCHEMBL408556 0.88 F10 (0.34) MTNR1AMTNR1BHDAC1HDAC2RECQL

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 HDAC6 103/4885HDAC4 515/4885HDAC7 232/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB HDAC6 103/4885HDAC4 515/4885HDAC7 232/4885

“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.