SCHEMBL23033458

SCHEMBL23033458

C=CCOc1ccc(CCNCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.68
GAA P10253 1/20 0.58
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TAAR1 Q96RJ0 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
KCNH2 Q12809 1/20 0.46

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
SCHEMBL21153822 0.85 GAA (0.60) BCHEGAAMEN1KMT2ATAAR1
SCHEMBL7132909 0.81 LTA4H (0.55) BCHEPOLB
SCHEMBL10426171 0.79 MEN1 (0.71) MEN1KMT2ATAAR1
SCHEMBL132095 0.78 POLB (0.51) BCHEPOLBMEN1KMT2ATAAR1
SCHEMBL21153878 0.78 GAA (0.64) BCHEGAAMEN1KMT2ATAAR1
SCHEMBL7290118 0.78 BCHE (0.60) BCHEGAA
SCHEMBL2150158 0.77 CA12 (0.50) BCHEPOLBMEN1KMT2A
SCHEMBL88417 0.76 AOC3 (0.54) BCHEMEN1KMT2ATAAR1
SCHEMBL16371575 0.76 AOC3 (0.54) BCHEMEN1KMT2ATAAR1
SCHEMBL1358088 0.75 SIGMAR1 (0.59) GAADRD2DRD4DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation ACELOT,INC (US) 2021-02-25 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-20210052519-A1 Small molecule drugs and related methods for treatment of diseases related to tdo-43, alpha-synuclein, huntingtin's protein and tau protein oligomer formation HTT, TARDBP, SNCA BCHE 1481/4885GAA 540/4885POLB 1926/4885

“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.