SCHEMBL4069719

SCHEMBL4069719

COc1ccc2ncc(Cl)c(N3CCC(CCNC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.48
ENPP1 P22413 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
CES2 O00748 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CHRM4 P08173 3/20 0.42
MTNR1B P49286 2/20 0.41
CYP8B1 Q9UNU6 1/20 0.41
ACHE P22303 2/20 0.41
MELK Q14680 2/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL4073225 0.88 SUV39H2 (0.47) SUV39H2ENPP1SIRT2SIRT1SIRT3
SCHEMBL4065882 0.84 NCF1 (0.52) SUV39H2ENPP1SIRT2SIRT1SIRT3
SCHEMBL4073223 0.83 SUV39H2 (0.48) SUV39H2SIRT2SIRT1SIRT3CHRM4
SCHEMBL4071738 0.80 ABCB1 (0.49) ENPP1CES2TP53MAPTALDH1A1
SCHEMBL4065078 0.76 SIRT2 (0.47) SUV39H2ENPP1SIRT2SIRT1SIRT3
SCHEMBL4067565 0.74 KCNH2 (0.53) ENPP1
SCHEMBL21190345 0.74 CKS1B (0.46) SUV39H2CYP8B1
SCHEMBL29604205 0.74 CKS1B (0.46) SUV39H2CYP8B1
SCHEMBL4063953 0.74 ALDH1A1 (0.47) MAPTALDH1A1MTNR1BMELKLMNA
SCHEMBL21819989 0.73 ACACB (0.43) SUV39H2CYP8B1

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 SUV39H2 3278/4885ENPP1 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.