SCHEMBL5073318

SCHEMBL5073318

NC(=O)c1cccn2cc(-c3ccc(-c4ccccc4)cc3)nc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.82
ALDH1A3 P47895 4/20 0.56
ALDH1A2 O94788 3/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PARP1 P09874 4/20 0.52
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
HTR2A P28223 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL5071964 0.97 DHODH (0.76) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5074229 0.91 DHODH (0.67) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL10211959 0.90 DHODH (1.00) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5850651 0.89 DHODH (0.64) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5077267 0.88 ALDH1A1 (0.63) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5852628 0.88 DHODH (0.63) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5076366 0.88 DHODH (0.63) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL1481133 0.87 DHODH (0.94) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5076319 0.86 DHODH (0.60) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5073376 0.85 DHODH (0.60) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E

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 4220/4885ALDH1A3 52/4885ALDH1A2 11/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885ALDH1A3 2928/4885ALDH1A2 2661/4885

“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.