SCHEMBL3028004

SCHEMBL3028004

COCCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.64
PARP4 Q9UKK3 2/20 0.58
PARP2 Q9UGN5 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PARP1 P09874 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
TMPRSS2 O15393 1/20 0.55
CHEK2 O96017 1/20 0.54
PRSS1 P07477 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
PARP15 Q460N3 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
FURIN P09958 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL17963079 0.96 PARP10 (0.64) PARP10PARP4PARP2CA1CA2
SCHEMBL17963278 0.95 PARP10 (0.62) PARP10PARP4PARP2CA1CA2
SCHEMBL13350009 0.92 PARP10 (0.59) PARP10PARP4PARP2CA1CA2
SCHEMBL3011807 0.91 PARP10 (0.71) PARP10PARP4PARP2CA1CA2
SCHEMBL30969240 0.88 KDM4E (0.57) PARP10PARP4PARP2CA1CA2
SCHEMBL31146810 0.86 PARP10 (0.65) PARP10PARP4PARP2CA1CA2
SCHEMBL3021118 0.86 PARP10 (0.65) PARP10PARP4PARP2CA1CA2
SCHEMBL1086686 0.85 PARP10 (0.72) PARP10L3MBTL1GAAMAPT
SCHEMBL2882011 0.84 PLA2G4B (0.70) CA1CA2L3MBTL1ALDH1A1
SCHEMBL30969221 0.83 PARP10 (0.57) PARP10PARP4PARP2CA1CA2

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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A PARP10 3946/4885PARP4 4120/4885PARP2 4522/4885

“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.