SCHEMBL5074013

SCHEMBL5074013

NC(=O)c1cccn2cc(-c3cccc(N)c3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.56
TP53 P04637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
GFER P55789 1/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
CLK1 P49759 2/20 0.47
DYRK1A Q13627 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PARP1 P09874 3/20 0.46
BTK Q06187 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SYK P43405 2/20 0.43

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
SCHEMBL5074229 0.87 DHODH (0.67) DHODHTP53ALDH1A1POLBGFER
SCHEMBL5076347 0.86 DHODH (0.55) DHODHTP53ALDH1A1POLBNPC1
SCHEMBL5077342 0.86 DHODH (0.55) DHODHTP53ALDH1A1POLBLMNA
SCHEMBL5074240 0.86 DHODH (0.55) DHODHTP53ALDH1A1POLBNPC1
SCHEMBL5850651 0.85 DHODH (0.64) DHODHTP53ALDH1A1POLBNPC1
SCHEMBL5071964 0.85 DHODH (0.76) DHODHTP53ALDH1A1NPC1RAB9A
SCHEMBL5071971 0.83 ALDH1A3 (0.59) DHODHTP53POLBNPC1RAB9A
SCHEMBL5074282 0.83 DHODH (0.52) DHODHTP53ALDH1A1POLBNPC1
SCHEMBL1419740 0.83 DHODH (0.52) DHODHTP53ALDH1A1NPC1RAB9A
SCHEMBL5073318 0.83 DHODH (0.82) DHODHTP53ALDH1A1NPC1RAB9A

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 3275/4885ALDH1A1 712/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885TP53 1447/4885ALDH1A1 1514/4885

“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.