SCHEMBL5074282

SCHEMBL5074282

CC(C)c1cccc(-c2cn3cccc(C(N)=O)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 2/20 0.40
ALDH1A3 P47895 4/20 0.39
ALDH1A2 O94788 2/20 0.39
MAPK1 P28482 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
SYK P43405 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
SCHEMBL5071965 0.87 DHODH (0.59) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5074240 0.84 DHODH (0.55) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5248176 0.83 SMN1; SMN2 (0.47) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5074229 0.83 DHODH (0.67) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5074013 0.83 DHODH (0.56) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5077342 0.82 DHODH (0.55) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5076347 0.82 DHODH (0.55) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5071971 0.81 ALDH1A3 (0.59) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5071964 0.81 DHODH (0.76) DHODHTP53SMN1; SMN2KDM4ENPC1
SCHEMBL5073376 0.81 DHODH (0.60) DHODHTP53SMN1; SMN2KDM4ENPC1

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 6 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
US-7041675-B2 Heterocyclic compounds and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-17 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 (2 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 DHODH 4220/4885TP53 3275/4885SMN1; SMN2 4599/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885TP53 1447/4885SMN1; SMN2 1811/4885

“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.