SCHEMBL3606808

SCHEMBL3606808

Cn1nc2c(c1CO)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRNE Q04844 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
SCHEMBL3618209 0.96 POLB (0.47) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL12871625 0.82 GAA (0.53) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL23082833 0.79 POLB (0.50) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL3794341 0.77 POLB (0.47) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL5772957 0.76 POLB (0.55) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL3796773 0.74 CNR2 (0.30)
SCHEMBL16739580 0.74 POLB (0.62) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL13684197 0.71 POLB (0.59) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL13693061 0.69 POLB (0.57) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL5067152 0.69 POLB (0.57) GAAPOLBCYP1A2MAPTTDP1

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R GAA 405/4885POLB 3604/4885CYP1A2 137/4885

“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.