SCHEMBL5071971

SCHEMBL5071971

COc1cccc(-c2cn3cccc(C(N)=O)c3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.59
DHODH Q02127 1/20 0.52
PARP1 P09874 1/20 0.50
MAP4K2 Q12851 1/20 0.49
TP53 P04637 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
CREBBP Q92793 1/20 0.46
WDR5 P61964 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SYK P43405 1/20 0.45
IKBKB O14920 1/20 0.45
IRAK4 Q9NWZ3 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
SCHEMBL3303069 0.91 DHODH (0.64) ALDH1A3DHODHTP53MAPTPOLB
SCHEMBL5073386 0.87 DHODH (0.59) ALDH1A3DHODHPARP1TP53MAPT
SCHEMBL2315115 0.84 ALDH1A3 (0.55) ALDH1A3DHODHTP53MAPTPOLB
SCHEMBL5074240 0.84 DHODH (0.55) ALDH1A3DHODHPARP1TP53MAPT
SCHEMBL5251711 0.84 ALDH1A3 (0.60) ALDH1A3TP53MAPTPOLBGAA
SCHEMBL5074013 0.83 DHODH (0.56) ALDH1A3DHODHPARP1MAP4K2TP53
SCHEMBL5074229 0.83 DHODH (0.67) ALDH1A3DHODHPARP1TP53POLB
SCHEMBL5077342 0.82 DHODH (0.55) ALDH1A3DHODHPARP1TP53MAPT
SCHEMBL5076347 0.82 DHODH (0.55) ALDH1A3DHODHPARP1TP53POLB
SCHEMBL5074282 0.81 DHODH (0.52) ALDH1A3DHODHPARP1TP53MAPT

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 ALDH1A3 52/4885DHODH 4220/4885PARP1 1/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 ALDH1A3 2928/4885DHODH 1990/4885PARP1 1/4885

“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.