SCHEMBL5755017

SCHEMBL5755017

COc1ccc(-c2nc3ccc(C(=O)NC(CO)CO)cc3s2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SCD O00767 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MGAM O43451 2/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46
SULT1A1 P50225 1/20 0.45
APP P05067 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL5757681 0.86 APP (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5754836 0.83 KDM4E (0.54) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL5756092 0.79 SULT1A1 (0.50) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL5757275 0.78 SULT1A1 (0.47) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL5755063 0.77 TAS1R3 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5755065 0.77 TAS1R3 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5755318 0.76 MAPK1 (0.60) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL5756169 0.75 KDM4E (0.53) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL5760076 0.73 LMNA (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5760072 0.73 LMNA (0.49) NPC1RAB9AMEN1KMT2AMAPT

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 NPC1 2627/4885RAB9A 3095/4885SCD 4507/4885

“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.