Sugi Predict

Sugi Predict / Compounds / SCHEMBL5339398

SCHEMBL5339398

SCHEMBL5339398

Cc1cc(NCCOCCCc2cccnc2)c([N+](=O)[O-])c(Oc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 3/20 0.39
▸ CYP11B1 P15538 3/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MGMT P16455 1/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ PTAFR P25105 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4769070 0.85 SMN1; SMN2 (0.39) ACP1CYP11B1CYP11B2CYP19A1CHRNA7
SCHEMBL5335896 0.85 ACP1 (0.42) ACP1CHRNA7GSK3AGSK3BMAPT
SCHEMBL4775513 0.85 LMNA (0.37) ACP1CYP11B1CYP11B2CYP19A1CHRNA7
SCHEMBL4795307 0.84 MAPT (0.39) CYP19A1SMN1; SMN2MGMTLMNATP53
SCHEMBL4775904 0.82 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CHRNA7MGMT
SCHEMBL4774953 0.80 CHRNA7 (0.40) ACP1CHRNA7SMN1; SMN2GSK3AGSK3B
SCHEMBL6699528 0.79 BCHE (0.42) —
SCHEMBL4775908 0.79 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CHRNA7MGMT
SCHEMBL4793392 0.74 CDK5 (0.41) ACP1CYP11B1CYP11B2CYP19A1SMN1; SMN2
SCHEMBL5340881 0.73 MAPT (0.37) CYP11B1CYP11B2CYP19A1CHRNA7SMN1; 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 ACP1 2322/4885CYP11B1 524/4885CYP11B2 541/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ACP1 2157/4885CYP11B1 513/4885CYP11B2 845/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ACP1 2322/4885CYP11B1 524/4885CYP11B2 541/4885

“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.