SCHEMBL2826304

SCHEMBL2826304

CCCN(C(=O)OC(C)(C)C)C1CN(c2nc(C(C)C)c(C(=O)OCC)s2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
PDE5A O76074 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL2821863 0.89 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2826984 0.83 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL2822658 0.80 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL2825363 0.79 PDE5A (0.40) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL2822074 0.79 BTK (0.37) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL2824168 0.78 MEN1 (0.32) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2824625 0.78 KDM4E (0.31) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL2823244 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL2824358 0.75 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL2825955 0.74 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGAAATM

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 ALDH1A1 3596/4885HPGD 1751/4885KDM4E 206/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885HPGD 578/4885KDM4E 211/4885

“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.