SCHEMBL5260938

SCHEMBL5260938

O=C(O)[C@H]1CC[C@H](NCc2ccc3cccc(O)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PIM1 P11309 1/20 0.42
LTA4H P09960 1/20 0.39
BCHE P06276 4/20 0.38
MAOA P21397 4/20 0.38
ACHE P22303 4/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE10A Q9Y233 1/20 0.36
GAA P10253 1/20 0.36
PLAU P00749 2/20 0.36
METAP2 P50579 1/20 0.36
NCF1 P14598 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5260947 1.00 KMT2A (0.43) KMT2AKDM4EPIM1LTA4HBCHE
SCHEMBL30021822 0.77 TRPV3 (0.42) KMT2AKDM4EPIM1BCHEMAOA
SCHEMBL7562315 0.72 KMT2A (0.50) KMT2AKDM4EPIM1ALDH1A1PLAU
SCHEMBL13796458 0.72 MCHR1 (0.51) BCHEACHE
SCHEMBL5264542 0.71 LTA4H (0.43) KMT2ALTA4HALDH1A1GAA
SCHEMBL5264546 0.71 LTA4H (0.43) KMT2ALTA4HALDH1A1GAA
SCHEMBL8344371 0.71 NPSR1 (0.63) KMT2AKDM4EPIM1ALDH1A1PDE10A
SCHEMBL5262933 0.71 SLC2A1 (0.46) LTA4HSELLSELPSELEALDH1A1
SCHEMBL5262938 0.71 SLC2A1 (0.46) LTA4HSELLSELPSELEALDH1A1
SCHEMBL12593364 0.70 METAP2 (0.49) KMT2AKDM4EPIM1ALDH1A1PDE10A

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 12 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 claimed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US claimed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN claimed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US claimed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP claimed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO claimed
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 KMT2A 4789/4885KDM4E 3867/4885PIM1 3929/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KMT2A 4848/4885KDM4E 4047/4885PIM1 3885/4885

“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.