SCHEMBL5756428

SCHEMBL5756428

CCOc1cncc(OCC)c1-c1nc2ccc(C(=O)N3CCCC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
ACP1 P24666 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 2/20 0.46
S1PR1 P21453 2/20 0.46

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 0.94 KDM4E (0.50) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL5755215 0.76 MAPK1 (0.52) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL2055197 0.75 HPGD (0.66) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL10272510 0.75 HPGD (0.62) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL10271392 0.74 HPGD (0.61) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL14970147 0.73 HPGD (0.81) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL12963767 0.72 HPGD (0.79) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL5756161 0.72 HPGD (0.53) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL5755318 0.71 MAPK1 (0.60) KDM4EGAAMEN1KMT2AHSD17B10
SCHEMBL5756224 0.71 HPGD (0.55) KDM4EGAAMEN1KMT2AHSD17B10

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 4 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 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 KDM4E 2318/4885GAA 706/4885MEN1 4418/4885

“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.