SCHEMBL2850751

SCHEMBL2850751

CCOC1CN(C(=O)OC(C)(C)C)CCC1NC(=O)c1nc(Cl)c(CC)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
F10 P00742 2/20 0.37
USP30 Q70CQ3 3/20 0.36
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 1/20 0.34
ACKR3 P25106 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL2850746 1.00 PARP1 (0.42) PARP1F10USP30CYP2C9MAPT
SCHEMBL2849578 0.94 PARP1 (0.41) PARP1F10USP30BACE1CCNT1
SCHEMBL2849583 0.94 PARP1 (0.41) PARP1F10USP30BACE1CCNT1
SCHEMBL2856367 0.92 PARP1 (0.42) PARP1F10USP30BACE1
SCHEMBL2856364 0.92 PARP1 (0.42) PARP1F10USP30BACE1
SCHEMBL2844583 0.91 PARP1 (0.40) PARP1F10USP30BACE1CCNT1
SCHEMBL2848343 0.91 PARP1 (0.40) PARP1F10USP30MAPTNPSR1
SCHEMBL2848340 0.91 PARP1 (0.40) PARP1F10USP30MAPTNPSR1
SCHEMBL2848244 0.91 PARP1 (0.40) PARP1F10USP30MAPTNPSR1
SCHEMBL2857844 0.91 PARP1 (0.40) PARP1F10USP30BACE1CCNT1

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 21/4885F10 3479/4885USP30 2702/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PARP1 10/4885F10 2107/4885USP30 3354/4885

“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.