SCHEMBL4065078

SCHEMBL4065078

COc1cnc2nccc(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.47
SIRT1 Q96EB6 3/20 0.47
SIRT3 Q9NTG7 3/20 0.47
SUV39H2 Q9H5I1 2/20 0.44
CHRM4 P08173 2/20 0.42
DYRK1A Q13627 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
DRD2 P14416 3/20 0.40
ENPP1 P22413 1/20 0.40
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CPB2 Q96IY4 1/20 0.38
PBK Q96KB5 1/20 0.38

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
SCHEMBL5752154 0.90 CHRM4 (0.45) SIRT2SIRT1SIRT3CHRM4ENPP1
SCHEMBL4065882 0.86 NCF1 (0.52) SIRT2SIRT1SIRT3SUV39H2DYRK1A
SCHEMBL4073225 0.85 SUV39H2 (0.47) SIRT2SIRT1SIRT3SUV39H2CHRM4
SCHEMBL4066842 0.80 ENPP1 (0.46) SIRT2SIRT1SIRT3SUV39H2CHRM4
SCHEMBL24601078 0.77 SIRT2 (0.47) SIRT2SIRT1SIRT3SUV39H2CKS1B
SCHEMBL29691616 0.77 SIRT2 (0.47) SIRT2SIRT1SIRT3SUV39H2CKS1B
SCHEMBL4069719 0.76 SUV39H2 (0.48) SIRT2SIRT1SIRT3SUV39H2CHRM4
SCHEMBL4069637 0.75 SIRT2 (0.47) SIRT2SIRT1SIRT3SUV39H2CHRM4
SCHEMBL4064002 0.75 KCNH2 (0.49)
SCHEMBL24392505 0.74 EHMT2 (0.49) SIRT2SIRT1SIRT3SUV39H2DRD2

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 SIRT2 733/4885SIRT1 983/4885SIRT3 596/4885

“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.