SCHEMBL5074040

SCHEMBL5074040

O=C1NCCn2c(-c3cccc(CN4CCCC4)c3)nc3cccc1c32

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.76

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
SCHEMBL7162182 0.90 PARP1 (0.76) PARP1
SCHEMBL6202744 0.86 PARP1 (1.00) PARP1
SCHEMBL7163111 0.85 PARP1 (0.79) PARP1
SCHEMBL7161746 0.84 PARP1 (1.00) PARP1
SCHEMBL6201192 0.84 PARP1 (0.76) PARP1
SCHEMBL7554564 0.82 PARP1 (0.80) PARP1
SCHEMBL7160485 0.82 PARP1 (0.77) PARP1
SCHEMBL5074037 0.82 PARP1 (0.72) PARP1
SCHEMBL831830 0.81 PARP1 (1.00) PARP1
SCHEMBL6202025 0.81 PARP1 (0.71) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed
EP-1208104-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2002-05-29 EP disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885

“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.