SCHEMBL6214723

SCHEMBL6214723

CCCCCCCN1CC[C@@H](CC(=O)Nc2ccnc3ccc(OC)nc23)[C@@H](CC(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.36
SLC2A1 P11166 1/20 0.36
CCR8 P51685 1/20 0.34

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
SCHEMBL6218218 0.90 SLC2A1 (0.39) KCNH2SLC2A1CCR8
SCHEMBL6212782 0.90 KCNH2 (0.38) KCNH2SLC2A1CCR8
Oxalic Acid SCHEMBL6215855 0.88 SLC2A1 (0.40) KCNH2SLC2A1CCR8
SCHEMBL6221361 0.78 KCNH2 (0.40) KCNH2SLC2A1CCR8
SCHEMBL6214270 0.78 KCNH2 (0.51) KCNH2
Oxalic Acid SCHEMBL6222732 0.77 SLC2A1 (0.39) KCNH2SLC2A1
Oxalic Acid SCHEMBL7831830 0.73 SLC2A1 (0.39) KCNH2SLC2A1CCR8
Oxalic Acid SCHEMBL6224062 0.72 SLC2A1 (0.38) KCNH2SLC2A1CCR8
SCHEMBL6968018 0.70 CCR8 (0.48) KCNH2SLC2A1CCR8
SCHEMBL633007 0.69 KCNH2 (0.50) KCNH2

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-1127057-B1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2005-05-04 EP disclosed
US-20030212084-A1 Naphthrydine compounds and their azaisosteric analogues as antibacterials HATTON IAN KEITH (GB) 2003-11-13 US disclosed
EP-1127057-A1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2001-08-29 EP disclosed
WO-2000021948-A1 NAPHTHRYDINE COMPOUNDS AND THEIR AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 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-20030212084-A1 Naphthrydine compounds and their azaisosteric analogues as antibacterials NGLY1, NRDC, ALPI KCNH2 2232/4885SLC2A1 4335/4885CCR8 4554/4885

“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.