SCHEMBL5316288

SCHEMBL5316288

O=C1CCc2ccc(C(=O)O)nc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.41
DDB1 Q16531 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CA9 Q16790 1/20 0.37
MGAM O43451 1/20 0.36
HTR1A P08908 5/20 0.34
DRD2 P14416 5/20 0.34
HTR2A P28223 5/20 0.34
KDM5A P29375 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
SCHEMBL29827162 0.85 TDP2 (0.44) CRBNDDB1PDE3BPDE3AKDM4E
SCHEMBL5310756 0.81 CRBN (0.44) CRBNDDB1PDE3BPDE3AALOX15
SCHEMBL6112485 0.78 PDE3B (0.38) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL6111771 0.77 PDE3B (0.34) PDE3BPDE3ACA9HTR1ADRD2
SCHEMBL6111970 0.77 PDE3B (0.37) CRBNPDE3BPDE3AHTR1ADRD2
SCHEMBL30104081 0.76 KDM4E (0.41) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6110983 0.75 DRD2 (0.33) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL5371747 0.74 PDE3B (0.43) CRBNPDE3BPDE3ANPC1MAPK13
SCHEMBL18202413 0.74 PDE3B (0.43) CRBNPDE3BPDE3ANPC1MAPK13
SCHEMBL21671865 0.74 PDE3B (0.43) CRBNPDE3BPDE3ANPC1MAPK13

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 8 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
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
WO-2006090273-A2 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS WITH KETO OR HYDROXYL LINKERS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-08-31 WO 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 CRBN 3240/4885DDB1 640/4885PDE3B 2827/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH CRBN 3518/4885DDB1 902/4885PDE3B 1922/4885

“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.