SCHEMBL2825950

SCHEMBL2825950

CCOC(=O)c1nc(I)c(CC)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 3/20 0.48
GAA P10253 2/20 0.48
CYP2C9 P11712 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.39
PDE4D Q08499 1/20 0.38
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36

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
SCHEMBL2822238 0.83 KDM4E (0.54) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL2823520 0.83 KDM4E (0.54) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL2825505 0.80 KDM4E (0.51) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL2823753 0.80 KDM4E (0.51) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL2822836 0.79 LMNA (0.38) KDM4ECYP2C9HSD17B10
SCHEMBL2822864 0.78 KDM4E (0.49) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL15556252 0.76 KDM4E (0.54) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL20470659 0.72 ALDH1A1 (0.57) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL2821356 0.71 KDM4E (0.49) KDM4EHPGDALDH1A1HTTRECQL
SCHEMBL2445511 0.70 GABRA1 (0.49) KDM4EHPGDALDH1A1HTTRECQL

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

“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.