SCHEMBL2844166

SCHEMBL2844166

CCOC(=O)c1sc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2CC)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 4/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL2844169 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL2850588 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL13002018 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL15505742 0.90 PIK3CD (0.34) ALDH1A1HPGD
SCHEMBL2856062 0.90 PIK3CD (0.34) ALDH1A1HPGD
SCHEMBL2848777 0.90 PIK3CD (0.34) ALDH1A1HPGD
SCHEMBL2848781 0.90 PIK3CD (0.34) ALDH1A1HPGD
SCHEMBL13002015 0.90 PIK3CD (0.34) ALDH1A1HPGD
SCHEMBL2826218 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL2849409 0.83 ABCC2 (0.38) ALDH1A1MEN1KMT2AMAPT

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.