SCHEMBL5755318

SCHEMBL5755318

COc1ccc(-c2nc3ccc(C(=O)N4CCCC4)cc3s2)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.60
SCD O00767 2/20 0.59
HPGD P15428 4/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
APP P05067 5/20 0.52
S1PR1 P21453 2/20 0.51
MGLL Q99685 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGDS O60760 1/20 0.48

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
SCHEMBL5756439 0.93 SCD (0.58) MAPK1ALDH1A1GAASCDHPGD
SCHEMBL5754836 0.84 KDM4E (0.54) ALDH1A1GAASCDHPGDMAPT
SCHEMBL5757212 0.84 S1PR1 (0.54) MAPK1ALDH1A1GAAHPGDNPC1
SCHEMBL5756224 0.84 HPGD (0.55) MAPK1ALDH1A1GAAHPGDNPC1
SCHEMBL5756092 0.81 SULT1A1 (0.50) GAASCDNPC1RAB9AAPP
SCHEMBL5755215 0.80 MAPK1 (0.52) MAPK1ALDH1A1GAASCDHPGD
SCHEMBL5757497 0.79 S1PR1 (0.55) MAPK1ALDH1A1GAAHPGDNPC1
SCHEMBL5758013 0.79 HPGD (0.52) MAPK1GAAHPGDNPC1RAB9A
SCHEMBL5759089 0.79 HPGD (0.52) MAPK1ALDH1A1GAAHPGDNPC1
SCHEMBL5756434 0.78 APP (0.55) MAPTAPP

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 MAPK1 158/4885ALDH1A1 927/4885GAA 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.