SCHEMBL2298595

SCHEMBL2298595

CCC1CCCN1Cc1ccc(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.57
GRIN2B Q13224 1/20 0.50
CHEK2 O96017 5/20 0.49
PARP2 Q9UGN5 2/20 0.46
DHODH Q02127 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
SCHEMBL30418282 0.93 PARP1 (0.57) PARP1CHEK2PARP2DHODH
SCHEMBL2295375 0.93 PARP1 (0.57) PARP1CHEK2PARP2DHODH
SCHEMBL2294128 0.93 PARP1 (0.57) PARP1CHEK2PARP2DHODH
SCHEMBL30418224 0.93 PARP1 (0.57) PARP1CHEK2PARP2DHODH
SCHEMBL2294120 0.93 PARP1 (0.57) PARP1CHEK2PARP2DHODH
SCHEMBL2299796 0.90 PARP1 (0.58) PARP1PARP2DHODH
SCHEMBL2297448 0.88 PARP1 (0.55) PARP1PARP2DHODH
SCHEMBL30417841 0.87 PARP1 (0.56) PARP1CHEK2PARP2DHODH
SCHEMBL2297910 0.87 PARP1 (0.56) PARP1CHEK2PARP2DHODH
SCHEMBL2295457 0.86 PARP1 (0.69) PARP1PARP2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-07-23 US claimed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 US claimed
US-7999117-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBVIE INC. 2011-08-16 US disclosed
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 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 (2 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-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885GRIN2B 2929/4885CHEK2 189/4885
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 PARP1 1/4885GRIN2B 2929/4885CHEK2 189/4885

“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.