SCHEMBL4769070

SCHEMBL4769070

Cc1cc(NCCOCCCc2cccnc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
GSK3A P49840 4/20 0.37
GSK3B P49841 4/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ACP1 P24666 3/20 0.37
POLB P06746 1/20 0.36
GRM2 Q14416 1/20 0.36
MGMT P16455 1/20 0.36
PTAFR P25105 1/20 0.36
HTR6 P50406 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5339398 0.85 ACP1 (0.39) SMN1; SMN2GSK3AGSK3BCYP19A1CYP11B1
SCHEMBL5340881 0.84 MAPT (0.37) SMN1; SMN2CDK5CDK5R1CYP19A1CYP11B1
SCHEMBL4793392 0.83 CDK5 (0.41) SMN1; SMN2GSK3AGSK3BCDK5CDK5R1
SCHEMBL4766384 0.80 CYP11B1 (0.38) SMN1; SMN2CYP19A1CYP11B1CYP11B2POLB
SCHEMBL4794120 0.80 NCF1 (0.40) SMN1; SMN2CYP19A1POLBMGMTCYP1A2
SCHEMBL6696621 0.78 ACHE (0.42)
SCHEMBL4766386 0.77 CYP11B1 (0.38) SMN1; SMN2CYP19A1CYP11B1CYP11B2POLB
SCHEMBL2549528 0.75 LMNA (0.52) SMN1; SMN2POLBMAPT
SCHEMBL562914 0.73 CDK5 (0.48) SMN1; SMN2CDK5CDK5R1POLBHTR6
SCHEMBL4775513 0.73 LMNA (0.37) SMN1; SMN2CYP19A1CYP11B1CYP11B2ACP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
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
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP 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
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO 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 SMN1; SMN2 2887/4885GSK3A 4805/4885GSK3B 4842/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP SMN1; SMN2 4130/4885GSK3A 4632/4885GSK3B 4673/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 SMN1; SMN2 2887/4885GSK3A 4805/4885GSK3B 4842/4885

“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.