SCHEMBL2822608

SCHEMBL2822608

COCN(C(=O)OC(C)(C)C)C1CNC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
REN P00797 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
KDM1A O60341 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL22308421 0.85 DPP4 (0.33) HDAC6NFKB1NFKB2RELAHDAC1
SCHEMBL20524324 0.84 PYGL (0.32) HDAC6NFKB1NFKB2RELAHDAC1
SCHEMBL3813845 0.83 NFKB1 (0.38) HDAC6NFKB1NFKB2RELAHDAC1
SCHEMBL3714007 0.82 EPHX1 (0.34) NFKB1NFKB2RELA
SCHEMBL13052392 0.81 NFKB1 (0.32) HDAC6NFKB1NFKB2RELAHDAC1
SCHEMBL23328804 0.81 NFKB1 (0.36) HDAC6NFKB1NFKB2RELAHDAC1
SCHEMBL14327679 0.79 CHRM2 (0.34) HDAC6NFKB1NFKB2RELAKDM1A
SCHEMBL13052389 0.79 CHRM2 (0.34) HDAC6NFKB1NFKB2RELAKDM1A
SCHEMBL23578633 0.76 NFKB1 (0.31) HDAC6NFKB1NFKB2RELAHDAC1
SCHEMBL6430201 0.75 NFKB1 (0.41) HDAC6NFKB1NFKB2RELAHDAC1

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-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HDAC6 427/4885NFKB1 1010/4885NFKB2 821/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HDAC6 279/4885NFKB1 552/4885NFKB2 700/4885

“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.