SCHEMBL5756311

SCHEMBL5756311

COc1cccc(-c2ccc(O)c(-c3nc4ccc(C(=O)N(C)CCN(C)C)cc4s3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 2/20 0.45
CDC42BPA Q5VT25 2/20 0.45
MAPK10 P53779 1/20 0.45
HSD17B2 P37059 2/20 0.45
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MGAM O43451 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.40
APP P05067 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 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
SCHEMBL5757301 0.89 KDM4E (0.48) MAPTRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5758649 0.87 ROCK2 (0.45) ROCK2ROCK1CDC42BPAMAPK10MAPT
SCHEMBL5758746 0.81 MGAM (0.47) HSD17B2MAPTRAB9ASMN1; SMN2MGAM
SCHEMBL5757504 0.78 NPC1 (0.45) MAPTRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5757292 0.76 KMT2A (0.48) HSD17B2MAPTRAB9ASMN1; SMN2TP53
SCHEMBL5756169 0.74 KDM4E (0.53) HSD17B2MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL5756092 0.73 SULT1A1 (0.50) HSD17B2RAB9AMGAMAPPGLA
SCHEMBL5757275 0.73 SULT1A1 (0.47) HSD17B2MAPTRAB9AMGAMTP53
SCHEMBL6104213 0.71 GAA (0.44) HSD17B2MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL2750376 0.70 ATR (0.54) MAPTTP53

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-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016600-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-02-26 WO 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

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 ROCK2 1460/4885ROCK1 1405/4885CDC42BPA 341/4885

“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.