SCHEMBL5074335

SCHEMBL5074335

NC(=O)c1cccc2[nH]c([C@H]3CC[C@H](N)CC3)nc12

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.77
PARP2 Q9UGN5 4/20 0.72

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
SCHEMBL5074334 1.00 PARP1 (0.77) PARP1PARP2
Hydrochloric Acid SCHEMBL5083811 0.99 PARP1 (0.75) PARP1PARP2
SCHEMBL6780399 0.90 PARP1 (0.62) PARP1PARP2
SCHEMBL6782746 0.90 PARP1 (0.77) PARP1PARP2
SCHEMBL5072050 0.88 PARP1 (0.78) PARP1PARP2
SCHEMBL29412037 0.88 PARP1 (0.80) PARP1PARP2
SCHEMBL6783910 0.87 PARP1 (0.73) PARP1PARP2
SCHEMBL6786429 0.87 PARP1 (0.73) PARP1PARP2
SCHEMBL5619945 0.87 PARP1 (1.00) PARP1PARP2
SCHEMBL5072051 0.86 PARP1 (1.00) 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 4 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
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-6737421-B1 4-CARBOXYAMIDO SUBSTITUTED; NEURODEGENERATIVE DISEASES; NEURONAL DAMAGE ABBOTT GMBH & CO. KG (DE) 2004-05-18 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885PARP2 2/4885

“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.