SCHEMBL5756793

SCHEMBL5756793

CCOc1cncc(O)c1-c1nc2ccc(CN3CCCC3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.52
SSTR5 P35346 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HCAR1 Q9BXC0 6/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
S1PR1 P21453 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5757277 0.81 KDM4E (0.50) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL5758909 0.79 ILK (0.55) ILKSSTR5HRH3
SCHEMBL5756428 0.74 KDM4E (0.53) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL5756434 0.73 APP (0.55) ILKMAPT
SCHEMBL5759036 0.73 ILK (0.53) ILKSSTR5KDM4EALDH1A1TSHR
SCHEMBL5757115 0.72 ILK (0.51) ILKKDM4EALDH1A1HRH3MAPT
SCHEMBL5757642 0.72 APP (0.52) ILKMAPT
SCHEMBL677874 0.72 ILK (0.76) ILKHRH3
SCHEMBL5756448 0.71 ILK (0.52) ILKKDM4EALDH1A1HRH3NPC1
SCHEMBL5755158 0.70 ILK (0.51) ILKALDH1A1HRH3NPC1S1PR1

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 1798/4885SSTR5 4632/4885KDM4E 2318/4885

“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.