SCHEMBL5755065

SCHEMBL5755065

COC(=O)[C@H](CO)NC(=O)c1ccc2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 7/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 5/20 0.42
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL5755063 1.00 TAS1R3 (0.44) TAS1R3TAS1R1KDM4EHDAC3HDAC1
SCHEMBL5760076 0.89 LMNA (0.49) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL5760072 0.89 LMNA (0.49) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL5755017 0.77 NPC1 (0.47) KDM4EHDAC6SMN1; SMN2MAPTTP53
SCHEMBL5759135 0.76 KDM4E (0.69) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL5757247 0.76 NPC1 (0.65) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL5759668 0.73 KDM4E (0.51) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL12983698 0.72 PIN1 (0.55) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL12983696 0.72 PIN1 (0.55) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL28440011 0.71 ALOX15 (0.67) TAS1R3TAS1R1LMNANFKB1NFKB2

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-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 TAS1R3 2846/4885TAS1R1 1643/4885KDM4E 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.