SCHEMBL6838014

SCHEMBL6838014

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
ADORA3 P0DMS8 7/20 0.43
ALDH1A1 P00352 2/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 3/20 0.42
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
SLC29A1 Q99808 2/20 0.40
ADA P00813 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6837549 0.93 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL6838571 0.82 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6425210 0.81 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL6424993 0.81 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6838587 0.77 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL2912457 0.76 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6378406 0.75 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL6840000 0.73 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6838033 0.71 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL13787683 0.70 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 US 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 174/4885ADORA3 170/4885ALDH1A1 705/4885

“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.