SCHEMBL5756078

SCHEMBL5756078

COc1cccc(O)c1-c1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 1/20 0.55
ILK Q13418 3/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
MITF O75030 1/20 0.49
RECQL P46063 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5757590 0.85 CA2 (0.52) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5755215 0.85 MAPK1 (0.52) KDM4ESMN1; SMN2LMNARAB9ANPC1
SCHEMBL5759135 0.76 KDM4E (0.69) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5754836 0.76 KDM4E (0.54) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5758909 0.75 ILK (0.55) ILKGAAHCRTR1
SCHEMBL5756169 0.75 KDM4E (0.53) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5756520 0.74 EGFR (0.41) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL16142074 0.74 KDM4E (0.85) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5758146 0.73 KDM4E (0.60) KDM4ESMN1; SMN2NFKB1NFKB2RELA
SCHEMBL27604182 0.72 KDM4E (0.60) 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 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 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.