SCHEMBL5339852

SCHEMBL5339852

Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCOCCNC(=O)OC(C)(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.38
CNR2 P34972 2/20 0.38
IDO1 P14902 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
BRD4 O60885 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6096324 0.93 BCHE (0.42) BCHEIDO1CKS1BSKP1SKP2
SCHEMBL6095926 0.91 BRD4 (0.41) BCHECA12CA1CA2CA9
SCHEMBL6095408 0.91 BRD4 (0.42) BCHECA12CA1CA2CA9
SCHEMBL4775915 0.85 ADORA2A (0.41) BCHECNR2IDO1ADORA2AADORA1
SCHEMBL4835830 0.81 KDM4E (0.39) LMNASMN1; SMN2
SCHEMBL5334549 0.81 POLB (0.39) BCHECNR2IDO1ADORA2AADORA1
SCHEMBL4766860 0.81 LMNA (0.41) LMNASMN1; SMN2
SCHEMBL4773614 0.81 MAPT (0.47) LMNASMN1; SMN2
SCHEMBL5333576 0.80 MAPT (0.42) LMNASMN1; SMN2
SCHEMBL4841863 0.78 NPC1 (0.38) LMNASMN1; SMN2

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 BCHE 3754/4885CNR2 2003/4885IDO1 233/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP BCHE 3568/4885CNR2 2977/4885IDO1 134/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 BCHE 3754/4885CNR2 2003/4885IDO1 233/4885

“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.