SCHEMBL5264532

SCHEMBL5264532

COCCON(C(=O)C1(O)CCCCC1NC(=O)OC(C)(C)C)c1ccnc2cccnc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
MAP4K4 O95819 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL5261192 0.90 KDM4E (0.33) MAP4K4KDM4ETDP1KDM4DPDE10A
SCHEMBL5739690 0.74 NFKB1 (0.33) MAP4K4KDM4ETDP1KDM4DPDE10A
SCHEMBL5636825 0.70 JAK1 (0.40) MAP4K4KDM4DPDE10A
SCHEMBL6195942 0.68 KDM1A (0.32) KDM4D
SCHEMBL5636179 0.67 KDM4D (0.33) MAP4K4KDM4ETDP1KDM4DPDE10A
SCHEMBL5260297 0.67 KDM4D (0.33) MAP4K4KDM4ETDP1KDM4DPDE10A
SCHEMBL3577407 0.67 KDM4D (0.32) KDM4ETDP1KDM4DPDE10A
SCHEMBL5530322 0.66 ACACB (0.40) KDM4ETDP1
SCHEMBL5748387 0.65 POLB (0.41) MAP4K4PDE10A
SCHEMBL3581356 0.65 ADAM17 (0.34) MAP4K4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 MAPT 4478/4885MAP4K4 3423/4885KDM4E 3867/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH MAPT 4694/4885MAP4K4 2797/4885KDM4E 4047/4885

“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.