SCHEMBL5757247

SCHEMBL5757247

O=C(Nc1ccccc1)c1ccc2nc(-c3ccccc3O)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
LMNA P02545 3/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 5/20 0.58
RXFP1 Q9HBX9 5/20 0.58
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 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
SCHEMBL5759135 0.86 KDM4E (0.69) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL5760076 0.80 LMNA (0.49) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL5760072 0.80 LMNA (0.49) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL9305825 0.79 NPC1 (0.72) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL5759668 0.78 KDM4E (0.51) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL12963182 0.77 MAPT (0.83) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL2248103 0.76 MAPT (0.74) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL5755065 0.76 TAS1R3 (0.44) NPC1RAB9ALMNAMAPTRXFP1
SCHEMBL5755063 0.76 TAS1R3 (0.44) NPC1RAB9ALMNAMAPTRXFP1
SCHEMBL5756224 0.75 HPGD (0.55) NPC1RAB9ALMNAALDH1A1HTT

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 5 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
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-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 NPC1 2627/4885RAB9A 3095/4885LMNA 1458/4885

“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.