SCHEMBL6380936

SCHEMBL6380936

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1ccc(N)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.40
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
ADA P00813 1/20 0.34
DRD4 P21917 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC29A1 Q99808 1/20 0.33
ADORA3 P0DMS8 4/20 0.32
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
TNKS O95271 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
SLC5A2 P31639 1/20 0.30

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
SCHEMBL5486410 0.71 SLC5A2 (0.47) SLC5A2
SCHEMBL5483976 0.71 SLC5A2 (0.47) SLC5A2
Bromide SCHEMBL8817735 0.70 SLC5A2 (0.46) SLC5A2
SCHEMBL6424493 0.70 ATP1A1 (0.35) ADORA2ASLC29A1SLC5A2
SCHEMBL15129319 0.69 DRD2 (0.41) ADORA2ADRD2DRD3DRD4PDE4D
SCHEMBL19135285 0.69 DRD2 (0.41) ADORA2ADRD2DRD3DRD4PDE4D
SCHEMBL14391672 0.69 DRD2 (0.41) ADORA2ADRD2DRD3DRD4PDE4D
SCHEMBL10183381 0.69 DRD2 (0.41) ADORA2ADRD2DRD3DRD4PDE4D
SCHEMBL3172821 0.69 ADORA2A (0.43) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL13391264 0.69 ADORA2A (0.40) ADORA2AADAADORA3ADORA2BADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP claimed
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 US claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO claimed
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP disclosed
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 US disclosed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR ADORA2A 174/4885DRD2 4477/4885DRD3 4198/4885

“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.