SCHEMBL2823573

SCHEMBL2823573

CCOC(=O)c1sc(N2CC(NC(=O)OC(C)(C)C)C2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
PDE5A O76074 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BTK Q06187 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL2690420 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2690423 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2690418 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2822074 0.88 BTK (0.37) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL2822919 0.88 ALDH1A1 (0.37) ALDH1A1HPGDGAATSHRHSD17B10
SCHEMBL2823182 0.86 TSHR (0.36) ALDH1A1HPGDGAATSHRHSD17B10
SCHEMBL2821347 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2849868 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2852527 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2849864 0.81 ALDH1A1 (0.41) 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.