SCHEMBL5756161

SCHEMBL5756161

Nc1nccnc1-c1nc2ccc(C(=O)N3CCCC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
S1PR1 P21453 2/20 0.49
ACP1 P24666 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
GPR183 P32249 4/20 0.46
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5755675 0.83 HPGD (0.52) HPGDTSHRHTTMAPK1LMNA
SCHEMBL5755231 0.83 NPC1 (0.61) HPGDHTTLMNAALDH1A1KDM4E
SCHEMBL32678152 0.80 CYP1A2 (0.67) HPGDTSHRHTTMAPK1LMNA
SCHEMBL557523 0.80 CYP1A2 (0.67) HPGDTSHRHTTMAPK1LMNA
SCHEMBL32678113 0.78 CYP1A2 (0.66) HPGDTSHRHTTMAPK1LMNA
SCHEMBL32678110 0.78 CYP1A2 (0.66) HPGDTSHRHTTMAPK1LMNA
SCHEMBL5756224 0.75 HPGD (0.55) HPGDTSHRHTTMAPK1LMNA
SCHEMBL14970147 0.74 HPGD (0.81) HPGDTSHRHTTMAPK1LMNA
SCHEMBL12963767 0.73 HPGD (0.79) HPGDTSHRHTTMAPK1LMNA
SCHEMBL5757212 0.73 S1PR1 (0.54) HPGDTSHRHTTMAPK1LMNA

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 8 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-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 HPGD 905/4885TSHR 2673/4885HTT 4175/4885

“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.