Sugi Predict

Sugi Predict / Compounds / SCHEMBL5334549

SCHEMBL5334549

SCHEMBL5334549

Cc1nc(Cl)c([N+](=O)[O-])c(NCCOCCNC(=O)OC(C)(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ BCHE P06276 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ IDO1 P14902 3/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5030437 0.92 POLB (0.41) POLBBCHESTK17BSTK17ABRD4
SCHEMBL1490695 0.90 STK17B (0.44) POLBSTK17BSTK17ABRD4TDP1
SCHEMBL6097448 0.90 STK17B (0.47) POLBSTK17BSTK17ABRD4CA12
SCHEMBL5339852 0.81 BCHE (0.38) BCHECNR2BRD4ADORA2AADORA1
SCHEMBL5027847 0.81 LATS1 (0.37) POLBSTK17BSTK17ABRD4
SCHEMBL31037654 0.81 MEN1 (0.46) BCHECNR2ADORA2AADORA1IDO1
SCHEMBL27718107 0.80 POLB (0.38) POLB
SCHEMBL4772413 0.80 CNR1 (0.34) BCHECNR2STK17BSTK17ABRD4
SCHEMBL4775385 0.78 POLB (0.41) POLBTDP1
SCHEMBL4300592 0.78 GAA (0.41) POLBTDP1

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 POLB 3686/4885BCHE 3754/4885CNR2 2003/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP POLB 3743/4885BCHE 3568/4885CNR2 2977/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 POLB 3686/4885BCHE 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.