SCHEMBL5072044

SCHEMBL5072044

NC(=O)c1cccn2cc(-c3ccc4ccccc4n3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PARP1 P09874 5/20 0.40
IKBKB O14920 1/20 0.40
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
MIF P14174 1/20 0.37
ALDH1A2 O94788 2/20 0.37
ALDH1A3 P47895 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5074102 0.84 DHODH (0.49) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5250307 0.81 DHODH (0.39) DHODHNPC1RAB9APARP1MIF
SCHEMBL5071964 0.80 DHODH (0.76) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5073376 0.80 DHODH (0.60) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5077292 0.79 DHODH (0.52) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5074030 0.79 DHODH (0.49) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5071981 0.78 DHODH (0.52) DHODHNPC1RAB9APARP1IKBKB
SCHEMBL5073318 0.77 DHODH (0.82) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5073373 0.77 DHODH (0.50) DHODHNPC1RAB9APARP1CLK1
SCHEMBL5074057 0.76 DHODH (0.46) DHODHNPC1RAB9APARP1CLK1

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 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-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 4220/4885NPC1 2526/4885RAB9A 4398/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885NPC1 990/4885RAB9A 4234/4885

“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.