SCHEMBL3209715

SCHEMBL3209715

Cn1nc2c(c1O)CCC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PARP1 P09874 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
BPTF Q12830 1/20 0.31
POLQ O75417 1/20 0.31
NTRK1 P04629 1/20 0.31
DRD4 P21917 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
SCHEMBL16739580 0.96 POLB (0.62) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL13160725 0.76 POLB (0.53) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL17010685 0.75 POLB (0.38) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL12335143 0.74 POLB (0.52) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL14738537 0.74 POLB (0.52) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL3610756 0.74 POLB (0.52) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL3618209 0.74 POLB (0.47) GAAPOLBCYP1A2MAPTTDP1
Tetrydamine SCHEMBL43249 0.72 GAA (1.00) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL23062881 0.72 POLB (0.93) GAAPOLBCYP1A2MAPTTDP1
SCHEMBL13145631 0.72 GAA (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 GAA 3553/4885POLB 3990/4885CYP1A2 696/4885

“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.