SCHEMBL5657252

SCHEMBL5657252

CC(C)(C)OC(=O)NCCCOc1ccc2nccc(NC(=O)C3CCN(CCc4nc5c(F)cccc5[nH]4)CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 6/20 0.37
KCNH2 Q12809 4/20 0.36
SLC2A1 P11166 1/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PARP1 P09874 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
DRD2 P14416 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL14573161 0.88 SLC40A1 (0.40) SLC40A1KCNH2SLC2A1PARP1DRD2
SCHEMBL14573148 0.86 KCNH2 (0.47) SLC40A1KCNH2SLC2A1
SCHEMBL5766014 0.81 CHRM3 (0.41) SLC40A1KCNH2
SCHEMBL5765657 0.79 KCNH2 (0.47) SLC40A1KCNH2SLC2A1
SCHEMBL5774180 0.75 KCNH2 (0.42) SLC40A1KCNH2SLC2A1
SCHEMBL6661601 0.72 KCNH2 (0.45) SLC40A1KCNH2SLC2A1
SCHEMBL5634581 0.71 KCNH2 (0.41) KCNH2
SCHEMBL5657093 0.68 CHRNA7 (0.47) SLC40A1PARP1DRD2
SCHEMBL5656451 0.67 KDM4E (0.53) SLC40A1
SCHEMBL6214270 0.66 KCNH2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS SLC40A1 1242/4885KCNH2 3267/4885SLC2A1 3844/4885

“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.