SCHEMBL4774953

SCHEMBL4774953

CCOCC(=O)Nc1c(NCCOCCCc2cccnc2)cc(C)nc1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
ACP1 P24666 1/20 0.37
NAMPT P43490 2/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTAFR P25105 3/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
NOTUM Q6P988 1/20 0.34
LMNA P02545 1/20 0.34
FKBP1A P62942 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
SCHEMBL4774106 0.85 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5335896 0.82 ACP1 (0.42) CHRNA7ACP1PTAFRGSK3AGSK3B
SCHEMBL5339398 0.80 ACP1 (0.39) CHRNA7ACP1RAB9ANPC1ALDH1A1
SCHEMBL6220463 0.76 KDM4E (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6096143 0.75 BRD4 (0.39) ALDH1A1
SCHEMBL4777571 0.71 CHRNA7 (0.37) CHRNA7ACP1PTAFR
SCHEMBL4775513 0.70 LMNA (0.37) CHRNA7ACP1RAB9ANPC1ALDH1A1
SCHEMBL4791286 0.69 MEN1 (0.39) CHRNA7ACP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4769070 0.68 SMN1; SMN2 (0.39) CHRNA7ACP1SMN1; SMN2PTAFRGSK3A
SCHEMBL4773222 0.68 CHRNA7 (0.56) CHRNA7RAB9ANPC1ALDH1A1SMN1; 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 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 CHRNA7 4538/4885ACP1 2322/4885NAMPT 1997/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP CHRNA7 4849/4885ACP1 2157/4885NAMPT 2093/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 CHRNA7 4538/4885ACP1 2322/4885NAMPT 1997/4885

“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.