SCHEMBL5755828

SCHEMBL5755828

Oc1cc(Cl)ccc1-c1nc2cc(CN3CCCC3)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.53
DRD4 P21917 3/20 0.53
DRD2 P14416 1/20 0.53
S1PR1 P21453 10/20 0.52
S1PR3 Q99500 8/20 0.50
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TMEM97 Q5BJF2 2/20 0.43

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 0.91 ILK (0.52) DRD3DRD4DRD2S1PR1S1PR3
SCHEMBL5758629 0.90 ILK (0.51) DRD3DRD4DRD2S1PR1S1PR3
SCHEMBL5757116 0.86 PDCD1 (0.50) DRD3DRD4S1PR1S1PR3NPC1
SCHEMBL5755342 0.83 ILK (0.51) DRD3DRD4DRD2S1PR1S1PR3
SCHEMBL5754098 0.81 ILK (0.56) DRD3DRD4DRD2S1PR1S1PR3
SCHEMBL25111049 0.79 NPC1 (0.55) DRD3DRD4DRD2NPC1RAB9A
SCHEMBL5756891 0.77 ILK (0.45) DRD3DRD4DRD2S1PR1S1PR3
SCHEMBL5759036 0.77 ILK (0.53) S1PR1S1PR3GAANPC1RAB9A
SCHEMBL5755144 0.76 POLB (0.52) S1PR1MGAMGAASIMGAM2
SCHEMBL5756434 0.75 APP (0.55)

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 6 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

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 DRD3 3213/4885DRD4 4169/4885DRD2 3606/4885

“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.