SCHEMBL630408

SCHEMBL630408

C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.64
PARP2 Q9UGN5 4/20 0.51
TNKS O95271 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PARP12 Q9H0J9 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
PARP3 Q9Y6F1 1/20 0.51
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51

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
SCHEMBL631604 1.00 PARP1 (0.64) PARP1PARP2TNKSPARP14PARP10
SCHEMBL630222 0.97 PARP1 (0.62) PARP1PARP2TNKSPARP14PARP10
SCHEMBL630315 0.95 PARP1 (0.60) PARP1PARP2TNKSPARP14PARP10
SCHEMBL21643633 0.93 PARP1 (0.53) PARP1HCRTR1HCRTR2
SCHEMBL21643665 0.93 PARP1 (0.53) PARP1HCRTR1HCRTR2
SCHEMBL30578080 0.90 PARP1 (0.51) PARP1HCRTR1HCRTR2
SCHEMBL11889787 0.87 PARP1 (0.77) PARP1PARP2TNKSPARP14PARP10
SCHEMBL21155681 0.86 PARP1 (0.53) PARP1PARP2TNKSPARP14PARP10
SCHEMBL630890 0.85 PARP1 (0.62) PARP1PARP2TNKSPARP14PARP10
SCHEMBL1048330 0.84 PARP1 (0.54) PARP1PARP2TNKSPARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885PARP2 2/4885TNKS 15/4885

“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.