SCHEMBL2821863

SCHEMBL2821863

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 3/20 0.37
POLB P06746 4/20 0.36
RAB9A P51151 1/20 0.36
PDE5A O76074 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
HTR1A P08908 2/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
SCHEMBL2826984 0.94 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2822658 0.91 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2825363 0.90 PDE5A (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2826304 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2824358 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2824168 0.81 MEN1 (0.32) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2823465 0.79 PDE5A (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2823573 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28801190 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2690420 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD

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 3596/4885MEN1 3960/4885KMT2A 847/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885MEN1 3629/4885KMT2A 1335/4885

“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.