SCHEMBL23696964

SCHEMBL23696964

COc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2C#N)c1OCc1nnn[nH]1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 8/20 0.68
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL20138038 0.92 ACMSD (0.59) ACMSDGAAGFERKMT2AKDM4E
SCHEMBL20068029 0.92 ACMSD (0.59) ACMSDGAAGFERKMT2AKDM4E
SCHEMBL29529412 0.81 ACMSD (1.00) ACMSDGAAGFERKMT2AALDH1A1
SCHEMBL20068024 0.81 ACMSD (1.00) ACMSDGAAGFERKMT2AALDH1A1
SCHEMBL20137829 0.81 ACMSD (1.00) ACMSDGAAGFERKMT2AALDH1A1
SCHEMBL20137819 0.76 SRC (0.48) KMT2AKDM4EALDH1A1HPGDHTT
SCHEMBL20137724 0.76 ACMSD (0.59) ACMSDGAAGFERKMT2AKDM4E
SCHEMBL20137723 0.76 ACMSD (0.59) ACMSDGAAGFERKMT2AKDM4E
SCHEMBL20137786 0.76 ACMSD (0.59) ACMSDGAAGFERKMT2AKDM4E
SCHEMBL20138015 0.76 ACMSD (0.58) ACMSDKMT2AKDM4EALDH1A1HPGD

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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ACMSD 1/4885GAA 127/4885GFER 596/4885

“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.