SCHEMBL2822535

SCHEMBL2822535

CCCCN(C(=O)OC(C)(C)C)C1CN(c2nc(CC)c(C(=O)OC)s2)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 3/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2824168 0.94 MEN1 (0.32) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2826984 0.82 ALDH1A1 (0.39) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2821863 0.76 ALDH1A1 (0.41) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL2822658 0.74 ALDH1A1 (0.39) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2826304 0.73 ALDH1A1 (0.34) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2823182 0.67 TSHR (0.36)
SCHEMBL2825363 0.67 PDE5A (0.40) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2824358 0.66 ALDH1A1 (0.43) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2822919 0.64 ALDH1A1 (0.37)
SCHEMBL2823454 0.61 HSD11B1 (0.46) MEN1KMT2ASMN1; SMN2

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 MEN1 3960/4885KMT2A 847/4885TP53 370/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A MEN1 3629/4885KMT2A 1335/4885TP53 501/4885

“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.