SCHEMBL2825955

SCHEMBL2825955

CCCNC1CN(c2nc(C(C)C)c(C(=O)OCC)s2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
HPGD P15428 5/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE5A O76074 1/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 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
SCHEMBL2823244 0.83 ALDH1A1 (0.44) ALDH1A1HPGDGAAKDM4EATM
SCHEMBL2822074 0.81 BTK (0.37) ALDH1A1HPGDGAAKDM4EATM
SCHEMBL2824180 0.80 TSHR (0.46) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL2822719 0.77 TOP2A (0.35) ALDH1A1HPGDGAAKDM4EATM
SCHEMBL7444741 0.76 ALDH1A1 (0.42) ALDH1A1HPGDGAAKDM4EATM
SCHEMBL2823015 0.76 GAA (0.48) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL2826304 0.74 ALDH1A1 (0.34) ALDH1A1HPGDGAAKDM4EATM
SCHEMBL2821347 0.74 ALDH1A1 (0.50) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL7448819 0.72 CDC7 (0.45) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL5209912 0.70 ALDH1A1 (0.46) ALDH1A1HPGDGAAKDM4EATM

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 1751/4885GAA 1609/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885HPGD 578/4885GAA 1089/4885

“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.