SCHEMBL2823015

SCHEMBL2823015

CCCNC1CCN(c2nc(C)c(C(=O)OCC)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.48
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
HTR1A P08908 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PCSK9 Q8NBP7 1/20 0.41
CASP6 P55212 1/20 0.41
PIK3CD O00329 1/20 0.41

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
SCHEMBL2826261 0.88 PDE5A (0.51) GAALMNAPDE5AALDH1A1MEN1
SCHEMBL28785980 0.87 PIK3CD (0.55) GAALMNAALDH1A1MAPTHPGD
SCHEMBL2822249 0.82 PDE5A (0.49) GAALMNAPDE5AALDH1A1MEN1
SCHEMBL2824180 0.82 TSHR (0.46) GAALMNAPDE5AALDH1A1MEN1
SCHEMBL2821347 0.78 ALDH1A1 (0.50) GAALMNAPDE5AALDH1A1MEN1
SCHEMBL3287171 0.78 ABCC2 (0.50) GAALMNA
SCHEMBL2827330 0.78 PDE5A (0.47) GAALMNAPDE5AALDH1A1MEN1
SCHEMBL2822940 0.78 PDE5A (0.47) GAALMNAPDE5AALDH1A1MEN1
SCHEMBL16432562 0.77 ALDH1A1 (0.54) GAAPDE5AALDH1A1MEN1KMT2A
SCHEMBL625865 0.77 PIK3CA (0.68) GAAALDH1A1MEN1KMT2AMAPT

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 GAA 1609/4885LMNA 948/4885PDE5A 1621/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A GAA 1089/4885LMNA 1119/4885PDE5A 541/4885

“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.