SCHEMBL3435734

SCHEMBL3435734

CCC(=O)Oc1csc(N(CCOC)C2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR1 P34998 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPA1 O75762 1/20 0.30
S1PR1 P21453 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
CD38 P28907 1/20 0.30

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
SCHEMBL3436205 0.78 PTGDR2 (0.38) PI4KBALDH1A1TP53GAARAB9A
SCHEMBL13999555 0.77 RAB9A (0.46) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL3579027 0.76 CRHR1 (0.35) PI4KBALDH1A1TP53GAARAB9A
SCHEMBL3557687 0.75 PTGDR2 (0.42) PI4KBALDH1A1TP53GAARAB9A
SCHEMBL3436225 0.74 SMN1; SMN2 (0.47) PI4KBALDH1A1GAARAB9AMEN1
SCHEMBL3546348 0.72 CRHR1 (0.39) PI4KBALDH1A1TP53GAARAB9A
SCHEMBL3435744 0.71 UCHL1 (0.35) PI4KBALDH1A1GAARAB9AMEN1
SCHEMBL3436060 0.71 EED (0.31) CRHR1
SCHEMBL3436229 0.68 MEN1 (0.36) MEN1KMT2A
SCHEMBL3435750 0.67 ALOX15 (0.31)

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 PI4KB 1652/4885ALDH1A1 975/4885TP53 1649/4885

“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.