SCHEMBL5756935

SCHEMBL5756935

Oc1ccc(Br)cc1-c1nc2ccc(CN3CCCC3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.51
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 1/20 0.42
APP P05067 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL5755342 0.87 ILK (0.51) ILKGAAMGAMSIMGAM2
SCHEMBL5755158 0.87 ILK (0.51) ILKHRH3ALDH1A1NPC1RAB9A
SCHEMBL5759036 0.85 ILK (0.53) ILKGAAHRH3TSHRMAPT
SCHEMBL5757642 0.84 APP (0.52) ILKMAPTAPP
SCHEMBL5756448 0.81 ILK (0.52) ILKHRH3ALDH1A1NPC1RAB9A
SCHEMBL5758629 0.80 ILK (0.51) ILKHRH3ALDH1A1NPC1RAB9A
SCHEMBL5756434 0.78 APP (0.55) ILKMAPTAPP
SCHEMBL5758013 0.77 HPGD (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL5757116 0.76 PDCD1 (0.50) ILKMAPTNPC1RAB9AS1PR1
SCHEMBL5757115 0.76 ILK (0.51) ILKGAAHRH3MAPTALDH1A1

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 ILK 1798/4885GAA 706/4885MGAM 3604/4885

“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.