SCHEMBL7581608

SCHEMBL7581608

O=C1NCCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.57
PARP10 Q53GL7 5/20 0.57
PARP11 Q9NR21 5/20 0.57
S100A4 P26447 1/20 0.46
PDPK1 O15530 1/20 0.46
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL16097877 0.83 PARP10 (0.49) PARP1PARP10PARP11S100A4PDPK1
SCHEMBL31316525 0.83 CDK5 (0.54) PARP1PARP10PARP11S100A4MAPT
SCHEMBL869059 0.83 CDK5 (0.54) PARP1PARP10PARP11S100A4MAPT
SCHEMBL2062086 0.79 S100A4 (0.47) PARP1PARP10PARP11S100A4PDPK1
SCHEMBL256723 0.78 MAPT (0.45) MAPTKMT2ALMNAHTTNCOA1
SCHEMBL166701 0.78 MAPT (0.56) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL35211484 0.78 MAPT (0.56) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL16131526 0.76 CDK5 (0.50) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL7949881 0.75 HTT (0.56) PARP1MAPTKMT2ALMNAHTT
SCHEMBL4573599 0.75 MAPT (0.53) S100A4MAPTRECQLKMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348475-B1 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS INC. 2002-02-19 US disclosed
US-20020019417-A1 Methods, compounds and compositions for treating gout EISAI INC. 2002-02-14 US disclosed
WO-2001091796-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR TREATING GOUT GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 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-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885PARP10 15/4885PARP11 7/4885

“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.