SCHEMBL5074240

SCHEMBL5074240

Cc1cccc(-c2cn3cccc(C(N)=O)c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 4/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TLR8 Q9NR97 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5074013 0.86 DHODH (0.56) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5074229 0.86 DHODH (0.67) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5077267 0.86 ALDH1A1 (0.63) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5076347 0.85 DHODH (0.55) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5077342 0.85 DHODH (0.55) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5071971 0.84 ALDH1A3 (0.59) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5074282 0.84 DHODH (0.52) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5071964 0.84 DHODH (0.76) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL1419740 0.82 DHODH (0.52) DHODHRAB9AKDM4ENPC1TP53
SCHEMBL5251083 0.82 NPC1 (0.47) DHODHRAB9AKDM4ENPC1TP53

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 4220/4885RAB9A 4398/4885KDM4E 4023/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885RAB9A 4234/4885KDM4E 3082/4885

“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.