SCHEMBL12846284

SCHEMBL12846284

O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(OC(=O)N5CCCCC5)cc4c23)CCC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.64

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
SCHEMBL12846160 0.91 PARP1 (0.65) PARP1
SCHEMBL14346485 0.75 PARP1 (0.51) PARP1
SCHEMBL12845918 0.73 PARP1 (0.64) PARP1
SCHEMBL12256417 0.71 PARP1 (1.00) PARP1
SCHEMBL29435084 0.71 PARP1 (1.00) PARP1
SCHEMBL14980870 0.71 PARP1 (1.00) PARP1
SCHEMBL21160645 0.69 PARP1 (0.74) PARP1
SCHEMBL14980885 0.68 PARP1 (0.43) PARP1
SCHEMBL21155625 0.67 PARP1 (0.70) PARP1
Gw296115X SCHEMBL8120713 0.66 PDGFRB (1.00) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 — — US disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — 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-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 3/4885

“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.

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