SCHEMBL4069637

SCHEMBL4069637

COc1ccc2nccc(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.47
SIRT1 Q96EB6 3/20 0.47
SIRT3 Q9NTG7 3/20 0.47
CYP8B1 Q9UNU6 1/20 0.46
SUV39H2 Q9H5I1 2/20 0.45
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
CHRM4 P08173 1/20 0.41
DRD2 P14416 5/20 0.41
KCNH2 Q12809 3/20 0.40
ACACB O00763 3/20 0.40
ACACA Q13085 3/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5752149 0.90 CYP8B1 (0.47) SIRT2SIRT1SIRT3CYP8B1CHRM4
SCHEMBL1222880 0.89 CYP8B1 (0.48) CYP8B1SUV39H2CKS1BSKP1SKP2
SCHEMBL13527141 0.87 CYP8B1 (0.48) CYP8B1CKS1BSKP1SKP2DRD2
SCHEMBL1223784 0.85 CYP8B1 (0.43) CYP8B1SUV39H2CKS1BSKP1SKP2
SCHEMBL13527211 0.85 CYP8B1 (0.45) SIRT2SIRT1SIRT3CYP8B1CKS1B
SCHEMBL17861337 0.85 CKS1B (0.48) CYP8B1SUV39H2CKS1BSKP1SKP2
SCHEMBL4070886 0.84 CYP8B1 (0.45) SIRT2SIRT1SIRT3CYP8B1KCNH2
SCHEMBL4073223 0.84 SUV39H2 (0.48) SIRT2SIRT1SIRT3SUV39H2CKS1B
SCHEMBL1224773 0.82 MAP4K4 (0.51) CYP8B1SUV39H2CKS1BSKP1SKP2
SCHEMBL1224777 0.82 MAP4K4 (0.51) CYP8B1SUV39H2CKS1BSKP1SKP2

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.