SCHEMBL656901

SCHEMBL656901

NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4C4CCCCC4)nc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.60
PARP2 Q9UGN5 8/20 0.59
DHODH Q02127 3/20 0.52
AURKA O14965 1/20 0.50
KDR P35968 1/20 0.50
AURKB Q96GD4 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
SCHEMBL657648 0.99 PARP1 (0.61) PARP1PARP2DHODH
SCHEMBL656712 0.97 PARP1 (0.60) PARP1PARP2DHODH
SCHEMBL658575 0.92 PARP1 (0.56) PARP1PARP2DHODHAURKAKDR
SCHEMBL4971740 0.87 PARP1 (0.74) PARP1PARP2DHODH
SCHEMBL4968397 0.86 PARP1 (0.75) PARP1PARP2DHODH
SCHEMBL659420 0.84 PARP1 (0.77) PARP1PARP2DHODH
SCHEMBL657040 0.82 PARP1 (0.61) PARP1PARP2AURKAKDRAURKB
SCHEMBL657658 0.80 PARP1 (0.62) PARP1PARP2
SCHEMBL658961 0.80 PARP1 (0.62) PARP1PARP2
SCHEMBL659033 0.79 PARP1 (0.63) PARP1PARP2

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
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US claimed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP claimed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 WO claimed
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885DHODH 1413/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885DHODH 1413/4885

“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.