SCHEMBL2847459

SCHEMBL2847459

COC1CN(C(=O)OC(C)(C)C)CCC1NC(=O)c1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PARP1 P09874 4/20 0.41
IDH1 O75874 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
USP30 Q70CQ3 5/20 0.38
STS P08842 1/20 0.38
JAK3 P52333 3/20 0.37
IDH2 P48735 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2847457 1.00 HDAC4 (0.42) HDAC4HDAC6PARP1IDH1GPR119
SCHEMBL2854708 0.89 JAK3 (0.39) JAK3
SCHEMBL2854703 0.89 JAK3 (0.39) JAK3
SCHEMBL2855278 0.81 PARP1 (0.43) HDAC4HDAC6PARP1GPR119USP30
SCHEMBL2855276 0.81 PARP1 (0.43) HDAC4HDAC6PARP1GPR119USP30
SCHEMBL2849475 0.81 USP30 (0.42) PARP1GPR119USP30JAK3L3MBTL1
SCHEMBL2849472 0.81 USP30 (0.42) PARP1GPR119USP30JAK3L3MBTL1
SCHEMBL2850410 0.79 PARP1 (0.43) HDAC4HDAC6PARP1GPR119USP30
SCHEMBL2850412 0.79 PARP1 (0.43) HDAC4HDAC6PARP1GPR119USP30
SCHEMBL2848258 0.78 PARP1 (0.45) HDAC4HDAC6PARP1GPR119USP30

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 HDAC4 82/4885HDAC6 427/4885PARP1 21/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HDAC4 48/4885HDAC6 279/4885PARP1 10/4885

“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.