SCHEMBL3552232

SCHEMBL3552232

CCN1CCN(c2ccc([S+](C)[O-])cc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
RAD52 P43351 3/20 0.50
MAPT P10636 3/20 0.50
GFER P55789 2/20 0.50
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNA7 P36544 1/20 0.38
PRMT1 Q99873 1/20 0.38
CYP2D6 P10635 3/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
S100B P04271 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3434279 0.83 KDM4E (0.44) GAAMAPTGFERKDM4ESMN1; SMN2
SCHEMBL10276785 0.80 MAPT (0.41) GAARAD52MAPTGFERALDH1A1
SCHEMBL27861191 0.79 MAPT (0.71) GAARAD52MAPTGFERKDM4E
SCHEMBL10278255 0.77 MAPT (0.60) GAARAD52MAPTGFERKDM4E
SCHEMBL29027298 0.76 ALDH1A1 (0.69) GAARAD52MAPTGFERKDM4E
SCHEMBL15954498 0.76 POLB (0.69) GAARAD52MAPTGFERKDM4E
SCHEMBL3554468 0.74 GAA (0.50) GAARAD52MAPTGFERKDM4E
SCHEMBL3554570 0.72 GAA (0.51) GAARAD52MAPTGFERKDM4E
SCHEMBL17764863 0.72 ADRA2C (0.65) GAARAD52MAPTGFERKDM4E
SCHEMBL3436496 0.69 MAPT (0.42) GAARAD52MAPTGFERKDM4E

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 3904/4885RAD52 4165/4885MAPT 1330/4885

“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.