SCHEMBL3436644

SCHEMBL3436644

CCCNC(=O)c1csc(NCCOC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
PIK3CG P48736 1/20 0.47
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
HPGDS O60760 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ACHE P22303 2/20 0.41

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
SCHEMBL10278061 0.83 L3MBTL1 (0.54) GAAPIK3CGRAB9AALDH1A1MAPT
SCHEMBL29235432 0.81 CYP1A2 (0.61) GAAPIK3CGRAB9AALDH1A1MAPT
SCHEMBL23742069 0.78 HPGD (0.45) GAARAB9AALDH1A1MAPTHTT
SCHEMBL3436608 0.75 GAA (0.43) GAARAB9AALDH1A1HPGDSCYP1A2
SCHEMBL162465 0.75 GAA (0.52) GAARAB9AALDH1A1HPGDNPC1
SCHEMBL3436865 0.75 HDAC3 (0.61) GAARAB9AALDH1A1HPGDNPC1
SCHEMBL18736222 0.74 GAA (0.51) GAARAB9AALDH1A1HTTCYP1A2
SCHEMBL29598646 0.73 CYP1A2 (0.70) GAARAB9AALDH1A1MAPTCYP1A2
SCHEMBL3436840 0.71 TLR7 (0.53) GAARAB9AALDH1A1HPGDNPC1
SCHEMBL12922160 0.71 ALDH1A1 (0.62) GAAPIK3CGRAB9AALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 GAA 3904/4885PIK3CG 1220/4885RAB9A 4401/4885

“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.