SCHEMBL2821591

SCHEMBL2821591

CCOC(=O)c1sc(N2CCC(N(C)C(=O)c3nc(Cl)c(CC)[nH]3)CC2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 4/20 0.38
PDE5A O76074 2/20 0.38
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 3/20 0.33
HTT P42858 2/20 0.33
DHODH Q02127 1/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2823758 0.91 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2823230 0.90 PIK3CD (0.43) ALDH1A1MAPTGAATSHRHTT
SCHEMBL2823275 0.89 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2823668 0.83 LMNA (0.47) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2822407 0.82 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2822543 0.81 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2823407 0.81 PIK3CD (0.40) ALDH1A1MAPTGAATSHRHPGD
SCHEMBL2822336 0.80 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2825243 0.80 LMNA (0.43) ALDH1A1MAPTMEN1KMT2AHTR1A
SCHEMBL2826773 0.80 LMNA (0.43) ALDH1A1MAPTMEN1KMT2AHTR1A

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.