SCHEMBL2823909

SCHEMBL2823909

CCOC(=O)c1sc(N2CC(CN)C2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 4/20 0.45
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 3/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
PDE5A O76074 1/20 0.42
GAA P10253 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 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
SCHEMBL2822554 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2691292 0.85 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2691295 0.85 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2691296 0.85 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2821347 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2822940 0.80 PDE5A (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2827330 0.80 PDE5A (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2824180 0.80 TSHR (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2822249 0.80 PDE5A (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16432562 0.76 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD

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 3596/4885MAPT 1455/4885MEN1 3960/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885MAPT 1979/4885MEN1 3629/4885

“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.