SCHEMBL5076323

SCHEMBL5076323

O=C1NCCc2c(OCC#CCN3CCCCC3)cccc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.66
TRPM2 O94759 1/20 0.66
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ABCB1 P08183 2/20 0.43
PARP10 Q53GL7 3/20 0.41
PARP11 Q9NR21 3/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7583074 0.81 PARP1 (0.87) PARP1TRPM2ALDH1A1KMT2AMEN1
SCHEMBL7587804 0.81 TRPM2 (0.93) PARP1TRPM2ALDH1A1KMT2AMEN1
SCHEMBL29478301 0.80 TRPM2 (1.00) PARP1TRPM2ALDH1A1KMT2AMEN1
SCHEMBL214027 0.80 TRPM2 (1.00) PARP1TRPM2ALDH1A1KMT2AMEN1
SCHEMBL7583746 0.77 ABCB1 (0.74) PARP1TRPM2ABCB1
SCHEMBL9447382 0.77 ABCB1 (0.74) PARP1TRPM2ABCB1
SCHEMBL9447499 0.77 ABCB1 (0.74) PARP1TRPM2ABCB1
SCHEMBL9447471 0.76 ABCB1 (0.72) PARP1TRPM2KDM4EABCB1
SCHEMBL5074084 0.74 PARP1 (0.89) PARP1TRPM2ALDH1A1KMT2AMEN1
SCHEMBL7581574 0.73 PARP1 (0.58) PARP1TRPM2PARP10PARP11

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 3 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
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 1/4885TRPM2 1216/4885ALDH1A1 712/4885

“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.