SCHEMBL6009935

SCHEMBL6009935

O=S(=O)(O)CCCNCc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.66
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
MPO P05164 2/20 0.50
ACHE P22303 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
FOLH1 Q04609 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5509232 0.85 CHRM2 (0.50) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL5504458 0.85 CA12 (0.50) CHRM2CA12CA1CA2CA4
SCHEMBL27941504 0.83 CHRM2 (0.66) CHRM2CA12CA1CA2CA4
SCHEMBL355305 0.83 CHRM2 (0.66) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL917676 0.83 MAOA (0.66) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL6009391 0.83 SCN8A (0.49) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL5504090 0.81 MPO (0.56) CHRM2MPOSCN8ACYP2D6
SCHEMBL354765 0.81 SLC2A1 (0.46) CHRM2CA12CA1CA2CA4
SCHEMBL10045185 0.80 CHRM2 (0.92) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL353483 0.80 CA1 (0.55) CHRM2HDAC3HDAC1HDAC2HDAC8

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR CHRM2 779/4885HDAC3 3990/4885HDAC1 4260/4885

“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.