SCHEMBL4065882

SCHEMBL4065882

COc1ccc2nccc(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
ENPP1 P22413 1/20 0.50
SIRT2 Q8IXJ6 2/20 0.49
SIRT1 Q96EB6 2/20 0.49
SIRT3 Q9NTG7 2/20 0.49
DYRK1A Q13627 1/20 0.48
MTNR1B P49286 4/20 0.45
MTNR1A P48039 3/20 0.45
SUV39H2 Q9H5I1 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PREP P48147 1/20 0.42
BRD4 O60885 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL4065078 0.86 SIRT2 (0.47) ENPP1SIRT2SIRT1SIRT3DYRK1A
SCHEMBL4069719 0.84 SUV39H2 (0.48) ENPP1SIRT2SIRT1SIRT3MTNR1B
SCHEMBL4069637 0.81 SIRT2 (0.47) SIRT2SIRT1SIRT3SUV39H2
SCHEMBL24392505 0.80 EHMT2 (0.49) NCF1SIRT2SIRT1SIRT3SUV39H2
SCHEMBL29589077 0.80 EHMT2 (0.49) NCF1SIRT2SIRT1SIRT3SUV39H2
SCHEMBL4066233 0.80 NCF1 (0.62) NCF1ENPP1MTNR1BKMT2AMEN1
SCHEMBL16020346 0.79 CKS1B (0.49) NCF1SIRT2SIRT1SIRT3
SCHEMBL28614808 0.79 CHRM4 (0.50)
SCHEMBL29691616 0.77 SIRT2 (0.47) ENPP1SIRT2SIRT1SIRT3SUV39H2
SCHEMBL24601078 0.77 SIRT2 (0.47) ENPP1SIRT2SIRT1SIRT3SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 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 (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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG NCF1 4/4885ENPP1 577/4885SIRT2 733/4885

“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.