Methylglyoxal

Methylglyoxal

SCHEMBL6013425

CC(=O)C=O.NC1=Nc2cccc3cccc(c23)N1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.51
MAPT P10636 9/20 0.51
MCL1 Q07820 3/20 0.51
KMT2A Q03164 12/20 0.48
LMNA P02545 5/20 0.48
USP2 O75604 2/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 10/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
STAT3 P40763 1/20 0.46
KDM4E B2RXH2 3/20 0.44
APAF1 O14727 1/20 0.44

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
SCHEMBL315396 0.85 GAA (0.62) GAAMAPTMCL1KMT2ALMNA
Hydrochloric Acid SCHEMBL8649799 0.83 GAA (0.61) GAAMAPTMCL1KMT2ALMNA
Bromide SCHEMBL9555445 0.83 GAA (0.61) GAAMAPTMCL1KMT2ALMNA
SCHEMBL11046663 0.75 GAA (0.58) GAAMAPTMCL1KMT2ALMNA
SCHEMBL29709862 0.73 KMT2A (0.56) GAAMAPTMCL1KMT2ALMNA
SCHEMBL5337037 0.73 KMT2A (0.56) GAAMAPTMCL1KMT2ALMNA
SCHEMBL18338666 0.71 GAA (0.50) GAAMAPTMCL1KMT2ALMNA
SCHEMBL18338668 0.71 GAA (0.50) GAAMAPTMCL1KMT2ALMNA
SCHEMBL20976334 0.71 GAA (0.50) GAAMAPTMCL1KMT2ALMNA
SCHEMBL18338669 0.71 GAA (0.50) GAAMAPTMCL1KMT2ALMNA

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-20060258612-A1 CFTR channel modulators CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-16 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-20060258612-A1 CFTR channel modulators CFTR, SCNN1B, SCNN1A GAA 2792/4885MAPT 4504/4885MCL1 4675/4885

“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.