SCHEMBL21969702

SCHEMBL21969702

O=C(ON1C(=O)CCC1=O)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 3/20 0.44
USP2 O75604 2/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
GSTP1 P09211 12/20 0.43
GSTM2 P28161 12/20 0.43
MYC P01106 4/20 0.43
MAX P61244 3/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
S100A4 P26447 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12900559 0.78 GSTM2 (0.51) MEN1KMT2APOLBUSP2GSTP1
SCHEMBL617411 0.75 KMT2A (0.48) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22458880 0.74 POLB (0.52) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3045469 0.74 GSTP1 (0.63) MEN1KMT2APOLBGSTP1GSTM2
SCHEMBL839031 0.74 MYC (0.57) MEN1KMT2APOLBMYCMAX
SCHEMBL13795300 0.73 GSTM2 (0.61) MEN1KMT2AUSP2GSTM2MYC
SCHEMBL596079 0.73 GSTM2 (0.61) MEN1KMT2AUSP2GSTM2MYC
SCHEMBL13481780 0.73 GSTP1 (0.58) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL1464493 0.72 DTYMK (0.56) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8402336 0.72 GSTP1 (0.40) MEN1KMT2APOLBUSP2TNNI3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725002-B2 Detection reagents and kit for identifying oxidized state and glycated state of low-density lipoproteins YAMADA, Ken-ichi (JP) 2023-08-15 US disclosed
US-11725002-B2 Detection reagents and kit for identifying oxidized state and glycated state of low-density lipoproteins YAMADA, Ken-ichi (JP) 2023-08-15 US disclosed
US-20200140426-A1 DETECTION REAGENTS AND KIT FOR IDENTIFYING OXIDIZED STATE AND GLYCATED STATE OF LOW-DENSITY LIPOPROTEINS YAMADA, Ken-ichi (JP) 2020-05-07 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 (2 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-11725002-B2 Detection reagents and kit for identifying oxidized state and glycated state of low-density lipoproteins APOL1, LDLR, LOX MEN1 4601/4885KMT2A 2500/4885POLB 3442/4885
US-20200140426-A1 DETECTION REAGENTS AND KIT FOR IDENTIFYING OXIDIZED STATE AND GLYCATED STATE OF LOW-DENSITY LIPOPROTEINS APOL1, LDLR, LOX MEN1 4601/4885KMT2A 2500/4885POLB 3442/4885

“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.