SCHEMBL5049879

SCHEMBL5049879

O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2c(F)cccc2F)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 20/20 0.77

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
SCHEMBL5044928 0.90 SLC29A1 (0.80) SLC29A1
SCHEMBL5045269 0.89 SLC29A1 (0.86) SLC29A1
SCHEMBL5044901 0.88 SLC29A1 (0.81) SLC29A1
SCHEMBL5049881 0.87 SLC29A1 (1.00) SLC29A1
SCHEMBL5045969 0.87 SLC29A1 (1.00) SLC29A1
SCHEMBL5046413 0.86 SLC29A1 (1.00) SLC29A1
SCHEMBL2965769 0.86 SLC29A1 (1.00) SLC29A1
SCHEMBL5044730 0.85 SLC29A1 (1.00) SLC29A1
SCHEMBL14229764 0.84 SLC29A1 (0.55) SLC29A1
SCHEMBL5041077 0.84 SLC29A1 (1.00) SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005526106-A 2005-09-02 JP claimed
EP-1492803-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2005-01-05 EP claimed
WO-2003084975-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2003-10-16 WO claimed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 US disclosed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 US disclosed
US-20050096293-A1 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2005-05-05 US disclosed
EP-1492803-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2005-01-05 EP disclosed
WO-2003084975-A1 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2003-10-16 WO disclosed
EP-1352910-A1 New analogs of nitrobenzylthioinosine Grünenthal GmbH (DE) 2003-10-15 EP 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-20050096293-A1 Analogs of nitrobenzylthioinosine NUDT1, TYMP, NNMT SLC29A1 159/4885

“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.