SCHEMBL2848340

SCHEMBL2848340

CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OCC(C)C)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.40
BACE1 P56817 2/20 0.36
F10 P00742 2/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP30 Q70CQ3 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TOP2A P11388 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2848343 1.00 PARP1 (0.40) PARP1BACE1F10ALDH1A1MEN1
SCHEMBL2848246 0.93 PARP1 (0.40) PARP1BACE1F10ALDH1A1MEN1
SCHEMBL2848244 0.93 PARP1 (0.40) PARP1BACE1F10ALDH1A1MEN1
SCHEMBL2850746 0.91 PARP1 (0.42) PARP1BACE1F10USP30MAPT
SCHEMBL2850751 0.91 PARP1 (0.42) PARP1BACE1F10USP30MAPT
SCHEMBL2849583 0.91 PARP1 (0.41) PARP1BACE1F10ALDH1A1MEN1
SCHEMBL2849578 0.91 PARP1 (0.41) PARP1BACE1F10ALDH1A1MEN1
SCHEMBL2852461 0.90 PARP1 (0.41) PARP1BACE1F10ALDH1A1USP30
SCHEMBL2852464 0.90 PARP1 (0.41) PARP1BACE1F10ALDH1A1USP30
SCHEMBL2856364 0.89 PARP1 (0.42) PARP1BACE1F10USP30GPR119

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 21/4885BACE1 4211/4885F10 3479/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PARP1 10/4885BACE1 2905/4885F10 2107/4885

“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.