SCHEMBL2822249

SCHEMBL2822249

CCOC(=O)c1sc(N2CCC(N)CC2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
HTR1A P08908 4/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL2822940 0.93 PDE5A (0.47) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2827330 0.93 PDE5A (0.47) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2822554 0.87 ALDH1A1 (0.51) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2826261 0.86 PDE5A (0.51) PDE5AALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3285396 0.83 ALDH1A1 (0.40) PDE5AALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5220942 0.83 ALDH1A1 (0.43) PDE5AALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5223834 0.83 ALDH1A1 (0.39) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2823015 0.82 GAA (0.48) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2691295 0.82 ALDH1A1 (0.49) PDE5AALDH1A1MAPTMEN1KMT2A
SCHEMBL2691292 0.82 ALDH1A1 (0.49) PDE5AALDH1A1MAPTMEN1KMT2A

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 PDE5A 1621/4885ALDH1A1 3596/4885MAPT 1455/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PDE5A 541/4885ALDH1A1 1220/4885MAPT 1979/4885

“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.