SCHEMBL6836089

SCHEMBL6836089

O=c1[nH]c(NCC=CCOCP(=O)(O)O)nc2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.48
▸ GDA Q9Y2T3 1/20 0.46

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
SCHEMBL1733393 0.84 XDH (0.51) XDHGDA
SCHEMBL216788 0.82 XDH (0.58) XDHGDA
SCHEMBL8717515 0.80 XDH (0.61) XDHGDA
SCHEMBL30361642 0.77 XDH (0.59) XDHGDA
SCHEMBL9170843 0.75 XDH (0.52) XDHGDA
SCHEMBL15545151 0.75 XDH (0.57) XDHGDA
SCHEMBL2249905 0.75 XDH (0.54) XDHGDA
SCHEMBL669008 0.74 XDH (0.61) XDHGDA
SCHEMBL16020627 0.74 XDH (0.47) XDHGDA
SCHEMBL385155 0.73 GDA (0.51) XDHGDA

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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines AVENTIS PHARMACEUTICALS INC. 2004-04-08 — — 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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP XDH 604/4885GDA 94/4885

“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.

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