SCHEMBL5076329

SCHEMBL5076329

CCN1CCCN(c2ccc(-c3cc4c(C(N)=O)cccc4[nH]3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
ACHE P22303 1/20 0.43
FLT3 P36888 1/20 0.41
HDAC1 Q13547 1/20 0.41
FGFR1 P11362 2/20 0.40
FGFR2 P21802 1/20 0.40
NR4A1 P22736 1/20 0.39
ESR2 Q92731 1/20 0.39
JAK2 O60674 1/20 0.39
PARP1 P09874 4/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAP2 P11137 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL30418247 0.96 AURKA (0.52) AURKAAURKBACHEFLT3HDAC1
SCHEMBL5074053 0.96 AURKA (0.52) AURKAAURKBACHEFLT3HDAC1
SCHEMBL5077266 0.91 AURKA (0.62) AURKAAURKBPARP1MAP2MT-CO2
SCHEMBL5076333 0.88 AURKA (0.58) AURKAAURKBESR2JAK2PARP1
SCHEMBL5074241 0.88 JAK2 (0.51) AURKAAURKBJAK2PARP1
SCHEMBL5074308 0.87 MAP2 (0.49) AURKAAURKBFGFR1JAK2PARP1
SCHEMBL5074098 0.86 AURKA (0.66) AURKAAURKBPARP1MAP2MT-CO2
SCHEMBL5073429 0.83 JAK2 (0.54) AURKAAURKBJAK2PARP1
SCHEMBL30417801 0.83 JAK2 (0.54) AURKAAURKBJAK2PARP1
SCHEMBL5073303 0.82 PARP1 (0.45) AURKAAURKBPARP1HRH4MAP2

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 AURKA 3231/4885AURKB 2091/4885ACHE 704/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 AURKA 309/4885AURKB 151/4885ACHE 3176/4885

“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.