SCHEMBL4300796

SCHEMBL4300796

CC(C)(C)OC(=O)N1CCC(NCc2cc3c(cn2)OCCO3)(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 2/20 0.39
THRB P10828 2/20 0.39
NAMPT P43490 4/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
LMNA P02545 1/20 0.38
TACR1 P25103 1/20 0.38
GPR183 P32249 1/20 0.37
GPR119 Q8TDV5 2/20 0.37

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
SCHEMBL5747966 0.91 NAMPT (0.40) MAPTTP53THRBNAMPTKEAP1
SCHEMBL3597771 0.91 PKM (0.40) MAPTTP53THRBNAMPTKEAP1
SCHEMBL4304911 0.91 NAMPT (0.38) MAPTTP53THRBNAMPTKEAP1
SCHEMBL3205594 0.78 CHRM2 (0.41) MAPTTP53THRBKEAP1NFE2L2
SCHEMBL5747972 0.77 JAK2 (0.35)
SCHEMBL5747052 0.76 KCNH2 (0.36) GPR119
SCHEMBL10313867 0.76 USP30 (0.48)
SCHEMBL5746081 0.75 MAPT (0.42) MAPTTP53THRBKEAP1NFE2L2
SCHEMBL4149910 0.75 IDO1 (0.47) MAPTTP53THRBKEAP1NFE2L2
SCHEMBL12066909 0.75 GPR183 (0.41) MAPTTP53THRBNAMPTKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (2 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ MAPT 3830/4885TP53 1940/4885THRB 3438/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG MAPT 4448/4885TP53 2210/4885THRB 4555/4885

“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.