SCHEMBL24713124

SCHEMBL24713124

C=CCOc1ccc(COc2cnc3oc(-c4cc(C)ncn4)nc3c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
PDE10A Q9Y233 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL30824962 1.00 ALDH1A1 (0.33) ALDH1A1GAAHPGDCA12CA1
SCHEMBL24713034 0.87 HDAC1 (0.35) HDAC1HDAC6HDAC5PDE10A
SCHEMBL30824955 0.87 HDAC1 (0.35) HDAC1HDAC6HDAC5PDE10A
SCHEMBL30824948 0.87 FFAR1 (0.36) HDAC1HDAC6HDAC5PDE10A
SCHEMBL24713337 0.87 FFAR1 (0.36) HDAC1HDAC6HDAC5PDE10A
SCHEMBL24713062 0.86 HDAC1 (0.34) HDAC1HDAC6HDAC5PDE10A
SCHEMBL30824944 0.86 HDAC1 (0.34) HDAC1HDAC6HDAC5PDE10A
SCHEMBL24713072 0.84 HDAC1 (0.33) HDAC1HDAC6HDAC5
SCHEMBL24713052 0.82 HDAC1 (0.37) HDAC1HDAC6HDAC5
SCHEMBL24713027 0.79 HDAC1 (0.33) HDAC1HDAC6HDAC5

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-20220372045-A1 DEUTERATED COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2022-11-24 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-20220372045-A1 DEUTERATED COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HIRIP3 ALDH1A1 4688/4885GAA 1657/4885HPGD 1110/4885

“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.