SCHEMBL2851565

SCHEMBL2851565

CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1nc(Br)c(Br)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.45
USP30 Q70CQ3 7/20 0.39
GPR119 Q8TDV5 1/20 0.37
F10 P00742 2/20 0.36
PBK Q96KB5 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HPGDS O60760 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2851569 1.00 PARP1 (0.45) PARP1USP30GPR119F10PBK
SCHEMBL2855456 0.91 PARP1 (0.44) PARP1USP30GPR119F10
SCHEMBL2855453 0.91 PARP1 (0.44) PARP1USP30GPR119F10
SCHEMBL2854354 0.89 PARP1 (0.42) PARP1USP30GPR119F10PBK
SCHEMBL2854350 0.89 PARP1 (0.42) PARP1USP30GPR119F10PBK
SCHEMBL2853600 0.87 ABCC2 (0.37)
SCHEMBL2853597 0.87 ABCC2 (0.37)
SCHEMBL2853530 0.85 PARP1 (0.44) PARP1F10
SCHEMBL2853533 0.85 PARP1 (0.44) PARP1F10
SCHEMBL2850114 0.85 PARP1 (0.42) PARP1USP30F10

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 PARP1 21/4885USP30 2702/4885GPR119 4537/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PARP1 10/4885USP30 3354/4885GPR119 3940/4885

“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.