SCHEMBL5658419

SCHEMBL5658419

O=C1CSc2ncc([C@H](O)CN3CCC(C(=O)O)CC3)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL5657579 0.82 HTT (0.46) ICAM1KMT2AHTR1ADRD2HTR2A
SCHEMBL14573156 0.75 KCNH2 (0.45)
SCHEMBL5763201 0.72 PARP1 (0.48) DRD2
SCHEMBL5655518 0.72 PARP1 (0.48) DRD2
SCHEMBL5765126 0.71 SLC2A1 (0.43)
SCHEMBL5261219 0.71 LTA4H (0.35) ICAM1LTA4H
SCHEMBL5261223 0.71 LTA4H (0.35) ICAM1LTA4H
SCHEMBL21400792 0.70 EPHX2 (0.40) MEN1KMT2APDE3BPDE3A
SCHEMBL27874902 0.68 KMT2A (0.62) MEN1KMT2A
SCHEMBL2925433 0.67 HTT (0.56) KMT2A

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 10 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 claimed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP claimed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US claimed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP claimed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 WO claimed
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 ICAM1 4547/4885L3MBTL1 1131/4885LTA4H 2345/4885

“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.