SCHEMBL5072021

SCHEMBL5072021

NC(=O)c1cccc2[nH]c(-c3cc4ccccc4cn3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
CDC7 O00311 3/20 0.42
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
PARP1 P09874 10/20 0.40
PIM1 P11309 1/20 0.40
BTK Q06187 2/20 0.40
DHODH Q02127 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL6028762 0.82 BTK (0.47) KDM4EALDH1A1GAACDC7PARP1
SCHEMBL5076325 0.81 ADORA3 (0.44) KDM4EALDH1A1GAACDC7PKN1
SCHEMBL5074121 0.81 PARP1 (0.53) KDM4EALDH1A1GAACDC7PARP1
SCHEMBL5076412 0.80 NPC1 (0.45) KDM4EALDH1A1GAACDC7PKN1
SCHEMBL5074093 0.80 KDM4E (0.53) KDM4EALDH1A1GAAPKN1PKN2
SCHEMBL5077264 0.78 PARP1 (0.47) KDM4EALDH1A1GAAPKN1PKN2
SCHEMBL5077425 0.78 ALDH1A1 (0.51) KDM4EALDH1A1GAACDC7PKN1
SCHEMBL5071999 0.77 CDC7 (0.48) KDM4EALDH1A1GAACDC7PKN1
SCHEMBL5073378 0.76 KDM4E (0.49) KDM4EALDH1A1GAACDC7PARP1
SCHEMBL5752743 0.75 PARP1 (0.40) KDM4EALDH1A1GAAPKN1PKN2

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-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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 KDM4E 4023/4885ALDH1A1 712/4885GAA 1515/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 KDM4E 496/4885ALDH1A1 522/4885GAA 3541/4885

“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.