SCHEMBL5073463

SCHEMBL5073463

O=C1NCCc2c(S)cccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.64
PARP10 Q53GL7 7/20 0.64
PARP11 Q9NR21 7/20 0.64
ACHE P22303 1/20 0.54
PDPK1 O15530 1/20 0.52
PIM1 P11309 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK5 Q00535 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL24142865 0.81 CDK5 (0.61) PARP1PARP10PARP11PIM1CSNK1A1
SCHEMBL831538 0.78 PARP1 (1.00) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL2999788 0.78 PARP10 (1.00) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL29687894 0.78 PARP1 (1.00) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL830807 0.78 PARP1 (1.00) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL7581623 0.78 PARP1 (1.00) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL6421827 0.78 PARP1 (0.64) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL8118685 0.78 PARP1 (0.64) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL797996 0.78 PARP1 (0.64) PARP1PARP10PARP11ACHEPDPK1
SCHEMBL29644368 0.78 PARP10 (1.00) PARP1PARP10PARP11ACHEPDPK1

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
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
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
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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 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 1/4885PARP10 13/4885PARP11 6/4885

“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.