SCHEMBL5756891

SCHEMBL5756891

COCCN1CCN(Cc2ccc3nc(-c4ccc(Cl)cc4O)sc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.45
PPARD Q03181 3/20 0.42
SSTR5 P35346 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
HCAR1 Q9BXC0 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
AURKA O14965 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
PDGFRB P09619 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAP3K7 O43318 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 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
SCHEMBL5754098 0.89 ILK (0.56) ILKS1PR1S1PR3HCAR1DRD2
SCHEMBL5756448 0.86 ILK (0.52) ILKS1PR1S1PR3DRD2DRD4
SCHEMBL5758629 0.85 ILK (0.51) ILKS1PR1S1PR3DRD2DRD4
SCHEMBL5754615 0.83 PKM (0.45) S1PR1DRD2DRD3
SCHEMBL5755342 0.79 ILK (0.51) ILKS1PR1S1PR3DRD2DRD4
SCHEMBL5755828 0.77 DRD3 (0.53) S1PR1S1PR3DRD2DRD4DRD3
SCHEMBL5756434 0.77 APP (0.55) ILK
SCHEMBL5756334 0.74 ILK (0.50) ILK
SCHEMBL5759036 0.73 ILK (0.53) ILKSSTR5S1PR1S1PR3
SCHEMBL5757642 0.72 APP (0.52) ILK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539723-B1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-24 EP claimed
US-20060106015-A1 Novel use of benzothiazole derivatives ASTRAZENECA (SE) 2006-05-18 US claimed
CN-1675189-A New use of benzothiazole derivatives ASTRAZENECA AB (SE) 2005-09-28 CN claimed
EP-1539723-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016600-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-02-26 WO claimed
EP-1539723-B1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2006-05-24 EP disclosed
US-20060106015-A1 Novel use of benzothiazole derivatives ASTRAZENECA (SE) 2006-05-18 US disclosed
CN-1675189-A New use of benzothiazole derivatives ASTRAZENECA AB (SE) 2005-09-28 CN disclosed
EP-1539723-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016600-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-02-26 WO 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 (1 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-20060106015-A1 Novel use of benzothiazole derivatives ITK, WEE2, WEE1 ILK 1798/4885PPARD 1127/4885SSTR5 4632/4885

“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.