SCHEMBL5757212

SCHEMBL5757212

O=C(c1ccc2nc(-c3ccc(Cl)cc3O)sc2c1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.54
HPGD P15428 5/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 4/20 0.50
LMNA P02545 1/20 0.50
ACP1 P24666 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GPR183 P32249 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.46
MGLL Q99685 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGDS O60760 1/20 0.46

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
SCHEMBL5759089 0.92 HPGD (0.52) S1PR1HPGDTSHRHTTMAPK1
SCHEMBL5755144 0.91 POLB (0.52) S1PR1HPGDTSHRHTTNPC1
SCHEMBL5756224 0.86 HPGD (0.55) S1PR1HPGDTSHRHTTMAPK1
SCHEMBL5755318 0.84 MAPK1 (0.60) S1PR1HPGDTSHRHTTMAPK1
SCHEMBL5754615 0.84 PKM (0.45) S1PR1HPGDMAPK1LMNANPC1
SCHEMBL5754402 0.83 KDM4E (0.58) HPGDHTTLMNANPC1RAB9A
SCHEMBL5757497 0.81 S1PR1 (0.55) S1PR1HPGDTSHRHTTMAPK1
SCHEMBL5758013 0.81 HPGD (0.52) S1PR1HPGDTSHRHTTMAPK1
SCHEMBL5755190 0.80 MAPT (0.55) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL5756439 0.79 SCD (0.58) S1PR1HPGDTSHRHTTMAPK1

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
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
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 S1PR1 3491/4885HPGD 905/4885TSHR 2673/4885

“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.