SCHEMBL2824748

SCHEMBL2824748

CCOC(=O)Cc1csc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
G6PD P11413 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MPI P34949 1/20 0.42
CACNA1B Q00975 1/20 0.42
RUNX1 Q01196 1/20 0.42
APBA1 Q02410 1/20 0.42
KMT2A Q03164 1/20 0.42
CBFB Q13951 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 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
SCHEMBL2852222 0.80 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2852226 0.80 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2822727 0.78 MEN1 (0.44) ALDH1A1TP53HSD17B10MAPTTDP1
SCHEMBL2851749 0.77 OPRK1 (0.43) ALDH1A1KDM4ECPB1SMPD3GAA
SCHEMBL2851747 0.77 OPRK1 (0.43) ALDH1A1KDM4ECPB1SMPD3GAA
SCHEMBL2826396 0.77 ABCC2 (0.42)
SCHEMBL2850519 0.76 OPRK1 (0.42) ALDH1A1KDM4EMEN1KMT2ACPB1
SCHEMBL2850517 0.76 OPRK1 (0.42) ALDH1A1KDM4EMEN1KMT2ACPB1
SCHEMBL2849414 0.75 CPB1 (0.40) ALDH1A1MEN1KMT2ACYP2C9CPB1
SCHEMBL2848533 0.75 HCRTR1 (0.41) ALDH1A1CPB1SMPD3GAA

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 3596/4885TP53 370/4885HSD17B10 1828/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885TP53 501/4885HSD17B10 937/4885

“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.