SCHEMBL2824174

SCHEMBL2824174

CCOC(=O)c1ccccc1CN1CCOc2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
SIRT1 Q96EB6 2/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
PRMT1 Q99873 1/20 0.38
CMA1 P23946 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TNNI3 P19429 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
TNNT2 P45379 1/20 0.37
CASP7 P55210 1/20 0.37
TNNC1 P63316 1/20 0.37

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
SCHEMBL2827166 0.84 ALDH1A1 (0.44) BRD4MAPTLMNATHRBALDH1A1
SCHEMBL7536952 0.77 HTR1A (0.44) HSD17B10KDM4EMEN1KMT2A
SCHEMBL2822700 0.75 LMNA (0.42) BRD4MAPTLMNATHRBALDH1A1
SCHEMBL23768823 0.72 SCN9A (0.49) MAPTSIRT1ALDH1A1TSHRKMT2A
SCHEMBL31490291 0.72 SCN9A (0.49) MAPTSIRT1ALDH1A1TSHRKMT2A
SCHEMBL2823606 0.72 SIRT1 (0.51) MAPTSIRT1KDM4E
SCHEMBL2823528 0.72 ROCK2 (0.55) SIRT1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL5516550 0.72 NR3C1 (0.41) MAPTTHRBALDH1A1KDM4EMEN1
SCHEMBL23804985 0.71 TSHR (0.47) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL30132891 0.71 TSHR (0.47) MAPTALDH1A1TSHRKDM4EHPGD

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 BRD4 187/4885MAPT 1455/4885LMNA 948/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A BRD4 323/4885MAPT 1979/4885LMNA 1119/4885

“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.