SCHEMBL5754402

SCHEMBL5754402

O=C(O)c1ccc2nc(-c3ccc(Cl)cc3O)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MITF O75030 1/20 0.54
RECQL P46063 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
HSD17B10 Q99714 4/20 0.52

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
SCHEMBL5758467 0.91 KDM4E (0.57) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5756695 0.89 GAA (0.55) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5759135 0.83 KDM4E (0.69) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5757212 0.83 S1PR1 (0.54) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL5756441 0.83 MAPT (0.61) KDM4ESMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5760456 0.82 MAPT (0.48) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL5757292 0.81 KMT2A (0.48) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL5754836 0.81 KDM4E (0.54) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1036069 0.79 KDM4E (0.62) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29190830 0.79 MAPT (0.68) KDM4ESMN1; SMN2NFKB1NFKB2RELA

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 9 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
CN-1675189-A New use of benzothiazole derivatives ASTRAZENECA AB (SE) 2005-09-28 CN 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
CN-1675189-A New use of benzothiazole derivatives ASTRAZENECA AB (SE) 2005-09-28 CN disclosed
EP-1539723-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016270-A1 USE OF Itk INHIBITORS FOR THE TREATMENT OF MAST CELL-DRIVEN OR BASOPHIL-DRIVEN DISEASES ASTRAZENECA AB (SE) 2004-02-26 WO 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 2318/4885SMN1; SMN2 2672/4885NFKB1 207/4885

“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.