SCHEMBL32665059

SCHEMBL32665059

CN(C)C(=O)c1cc(O)cc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
GPR35 Q9HC97 1/20 0.37
CA5A P35218 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK1 P06493 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NSD2 O96028 1/20 0.34
F2 P00734 1/20 0.34
GSK3B P49841 2/20 0.33
ERN1 O75460 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL13307469 0.82 ALDH1A1 (0.42) PDK1PDK2PDK3PDK4TTR
SCHEMBL23384719 0.81
SCHEMBL25159901 0.81 SMN1; SMN2 (0.38) PDK1PDK2PDK3PDK4TTR
SCHEMBL25159879 0.78 ENPP2 (0.42) PDK1PDK2PDK3PDK4TTR
SCHEMBL17615077 0.78 GPR35 (0.35) PDK1PDK2PDK3PDK4TTR
SCHEMBL2562951 0.77 CA12 (0.60) TTRALBGPR35CA5AALDH1A1
SCHEMBL4319254 0.75 PDK1 (0.36) PDK1PDK2PDK3PDK4GPR35
SCHEMBL30784948 0.75 GSK3B (0.56) PDK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3813604 0.75 GSK3B (0.56) PDK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2564255 0.75 CA12 (0.66) TTRALBGPR35ALDH1A1HPGD

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-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD TOPAZ THERAPEUTICS INC (US) 2026-01-22 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-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD RIOX2, ORC3, DCLRE1A PDK1 3062/4885PDK2 4100/4885PDK3 3787/4885

“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.