SCHEMBL3272782

SCHEMBL3272782

CC(C)(C)OC(=O)N1C/C(=N\O)[C@H](CNC(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ABCB1 P08183 1/20 0.44
NAMPT P43490 1/20 0.44
HTT P42858 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
STS P08842 1/20 0.42
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
LMNA P02545 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL13382306 1.00 KDM4E (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL13382577 1.00 KDM4E (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL13382307 0.87 ABCB1 (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL3272958 0.87 ABCB1 (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL3272818 0.87 ABCB1 (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL8466304 0.84 NAMPT (0.44) KDM4EPKMNAMPTGPR119STS
SCHEMBL8325977 0.84 NAMPT (0.42) KDM4EPKMNAMPTMAPTMEN1
SCHEMBL3836086 0.83 HTT (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL13646937 0.83 HTT (0.46) KDM4EPKMABCB1NAMPTHTT
SCHEMBL2826301 0.81 NAMPT (0.61) KDM4EPKMABCB1NAMPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 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 (1 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 KDM4E 1115/4885PKM 1430/4885ABCB1 2888/4885

“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.