SCHEMBL5754836

SCHEMBL5754836

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SULT1A1 P50225 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5756169 0.91 KDM4E (0.53) KDM4ENFKB1NFKB2RELALMNA
SCHEMBL5756092 0.88 SULT1A1 (0.50) SULT1A1NPC1RAB9AGAAHSD17B1
SCHEMBL5757275 0.85 SULT1A1 (0.47) LMNASULT1A1NPC1RAB9AALDH1A1
SCHEMBL5755318 0.84 MAPK1 (0.60) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL5755017 0.83 NPC1 (0.47) KDM4ESMN1; SMN2SULT1A1NPC1RAB9A
SCHEMBL27604182 0.81 KDM4E (0.60) KDM4ENFKB1NFKB2RELALMNA
SCHEMBL5757288 0.81 CA2 (0.58) NFKB1NFKB2RELALMNASMN1; SMN2
SCHEMBL5754402 0.81 KDM4E (0.58) KDM4ENFKB1NFKB2RELALMNA
SCHEMBL5981201 0.80 MAPT (0.71) KDM4ENFKB1NFKB2RELALMNA
SCHEMBL5759135 0.80 KDM4E (0.69) KDM4ENFKB1NFKB2RELALMNA

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 2318/4885NFKB1 207/4885NFKB2 155/4885

“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.