SCHEMBL5263423

SCHEMBL5263423

NC(=O)[C@H]1CC[C@H](N)[C@@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GABRR1 P24046 1/20 0.32
▸ PLG P00747 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL3580910 1.00 KDM4E (0.33) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL3953001 0.84 GABRR1 (0.50) GABRR1PLGPLATLMNA
SCHEMBL3581962 0.84 GABRR1 (0.50) GABRR1PLGPLATLMNA
SCHEMBL5260434 0.84 GABRR1 (0.50) GABRR1PLGPLATLMNA
SCHEMBL3953002 0.84 GABRR1 (0.50) GABRR1PLGPLATLMNA
SCHEMBL3581424 0.84 GABRR1 (0.50) GABRR1PLGPLATLMNA
SCHEMBL23275356 0.81 KMT2A (0.35) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL13887218 0.80 KDM4E (0.32) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL13631050 0.80 GABRR1 (0.31) GABRR1PLGPLATLMNA
SCHEMBL15542332 0.77 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6

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 4 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

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 KDM4E 3867/4885MAPT 4478/4885KMT2A 4789/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KDM4E 4047/4885MAPT 4694/4885KMT2A 4848/4885

“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.

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