SCHEMBL32665335

SCHEMBL32665335

CN(C)C(=O)c1ccc(C#N)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 6/20 0.41
HSP90AA1 P07900 3/20 0.41
PDK1 Q15118 6/20 0.41
PDK3 Q15120 5/20 0.41
PDK4 Q16654 5/20 0.41
MAPT P10636 1/20 0.40
AR P10275 1/20 0.40
HSP90AB1 P08238 2/20 0.36
OTUD7B Q6GQQ9 1/20 0.36

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
SCHEMBL22507880 0.83 S1PR3 (0.48) HPGDALDH1A1SMN1; SMN2MAPTAR
SCHEMBL16978031 0.81 S1PR3 (0.47) ERN1HPGDALDH1A1SMN1; SMN2
SCHEMBL6970906 0.80 PKM (0.46) HPGDALDH1A1MAPT
SCHEMBL3813890 0.79 VNN1 (0.42) ERN1HPGDALDH1A1SMN1; SMN2PDK2
SCHEMBL1267736 0.78 KDM4E (0.57) HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL8143064 0.78 AR (0.44) HPGDALDH1A1SMN1; SMN2HSP90AA1PDK1
SCHEMBL4021525 0.78 HPGD (0.41) HPGDALDH1A1SMN1; SMN2PDK2HSP90AA1
SCHEMBL9131982 0.77 CA12 (0.56) ERN1HPGDALDH1A1SMN1; SMN2PDK2
SCHEMBL19682731 0.76 AR (0.41) HPGDALDH1A1SMN1; SMN2PDK2PDK1
SCHEMBL2427132 0.76 CA1 (0.62) ERN1HPGDALDH1A1SMN1; SMN2MAPT

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 ERN1 1510/4885HPGD 3054/4885ALDH1A1 3714/4885

“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.