SCHEMBL5755342

SCHEMBL5755342

Oc1ccc(Cl)cc1-c1nc2ccc(CN3CCCC3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.51
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD4 P21917 4/20 0.44
DRD3 P35462 3/20 0.44
DRD2 P14416 2/20 0.44
S1PR1 P21453 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
S1PR3 Q99500 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5756448 0.92 ILK (0.52) ILKHRH3DRD4DRD3DRD2
SCHEMBL5758629 0.91 ILK (0.51) ILKHRH3DRD4DRD3DRD2
SCHEMBL5755158 0.87 ILK (0.51) ILKHRH3DRD2S1PR1NPC1
SCHEMBL5756935 0.87 ILK (0.51) ILKMGAMGAASIMGAM2
SCHEMBL5759036 0.85 ILK (0.53) ILKGAAHRH3S1PR1NPC1
SCHEMBL5757642 0.84 APP (0.52) ILKMAPT
SCHEMBL5755828 0.83 DRD3 (0.53) MGAMGAASIMGAM2DRD4
SCHEMBL5754098 0.83 ILK (0.56) ILKDRD4DRD3DRD2S1PR1
SCHEMBL5756891 0.79 ILK (0.45) ILKDRD4DRD3DRD2S1PR1
SCHEMBL5756434 0.78 APP (0.55) ILKMAPT

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 8 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
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
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 1798/4885MGAM 3604/4885GAA 706/4885

“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.