SCHEMBL2823884

SCHEMBL2823884

CCCCc1nc(N)sc1C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
CYP1A2 P05177 1/20 0.63
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.48
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
FBP1 P09467 1/20 0.45
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL2082176 0.91 ALDH1A1 (0.67) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL859765 0.86 ALDH1A1 (0.69) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL1552396 0.86 ALDH1A1 (0.69) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL2720641 0.85 ALDH1A1 (0.63) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL2823911 0.85 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL13125915 0.84 ALDH1A1 (0.61) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL4809982 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL27821918 0.81 GABRP (0.50) ALDH1A1CYP1A2HPGDHSD17B10MAPT
SCHEMBL3098533 0.81 ALDH1A1 (0.65) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL1919240 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2HPGDHSD17B10LMNA

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 3596/4885CYP1A2 2031/4885HPGD 1751/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885CYP1A2 545/4885HPGD 578/4885

“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.