SCHEMBL5340518

SCHEMBL5340518

Cc1c(NCCOCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c2nnnn2c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.36
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
IDO1 P14902 1/20 0.31
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5030399 0.92 BRD4 (0.38) BRD4BCHEADORA2AADORA3PIM1
SCHEMBL1490796 0.91 BRD4 (0.44) BRD4
SCHEMBL5339810 0.85 ADORA2A (0.39) BRD4BCHEADORA2AADORA1ADORA3
SCHEMBL5027830 0.83 BRD4 (0.31) BRD4
SCHEMBL4793343 0.80 MAPT (0.37) MEN1KMT2A
SCHEMBL14208872 0.77 BRD4 (0.33) BRD4
SCHEMBL5616460 0.77 MAPT (0.39) MEN1GAAKMT2A
SCHEMBL5031347 0.76 BRD4 (0.40) BRD4BCHEADORA2AADORA1ADORA3
SCHEMBL5334549 0.76 POLB (0.39) BRD4BCHECNR2ADORA2AADORA1
SCHEMBL4243097 0.76 ALDH1A1 (0.34) MEN1GAAKMT2A

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
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 BRD4 130/4885BCHE 3754/4885CNR2 2003/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP BRD4 356/4885BCHE 3568/4885CNR2 2977/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 BRD4 130/4885BCHE 3754/4885CNR2 2003/4885

“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.