SCHEMBL5756448

SCHEMBL5756448

Oc1cc(Cl)ccc1-c1nc2ccc(CN3CCCC3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.52
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR1 P21453 6/20 0.46
DRD4 P21917 4/20 0.45
DRD3 P35462 3/20 0.45
DRD2 P14416 2/20 0.45
S1PR3 Q99500 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5758629 0.99 ILK (0.51) ILKHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL5755342 0.92 ILK (0.51) ILKHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL5755828 0.91 DRD3 (0.53) NPC1RAB9AS1PR1DRD4DRD3
SCHEMBL5754098 0.90 ILK (0.56) ILKS1PR1DRD4DRD3DRD2
SCHEMBL5759036 0.86 ILK (0.53) ILKHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL5756891 0.86 ILK (0.45) ILKS1PR1DRD4DRD3DRD2
SCHEMBL5756434 0.84 APP (0.55) ILK
SCHEMBL5755158 0.81 ILK (0.51) ILKHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL5756935 0.81 ILK (0.51) ILKHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL5757642 0.78 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 9 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-2004016270-A1 USE OF Itk INHIBITORS FOR THE TREATMENT OF MAST CELL-DRIVEN OR BASOPHIL-DRIVEN DISEASES ASTRAZENECA AB (SE) 2004-02-26 WO 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 1798/4885HRH3 1992/4885NPC1 2627/4885

“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.