SCHEMBL21342897

SCHEMBL21342897

CC(C)(C)OC(=O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)N=C1/C=C/c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 7/20 0.39
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 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
SCHEMBL21342934 0.94 MEN1 (0.39) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21342890 0.90 KMT2A (0.45) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21342486 0.86 KMT2A (0.40) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21342487 0.86 KMT2A (0.38) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL23173051 0.84 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21342500 0.82 KMT2A (0.41) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21342501 0.82 IDH1 (0.33) MAPTALDH1A1LMNAKDM4E
SCHEMBL21342666 0.81 MAPT (0.38) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21342154 0.81 DTYMK (0.33) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21342936 0.80 ALDH1A1 (0.34) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers PENN STATE RES FOUND (US) 2021-04-01 US disclosed
WO-2019173607-A1 DYES FOR ANALYSIS OF SOLUBLE PROTEIN AGGREGATES OR MISFOLDED PROTEIN OLIGOMERS THE PENN STATE RESEARCH FOUNDATION (US) 2019-09-12 WO 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-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers HSPBP1, HTT, HSPA5 MEN1 4014/4885KMT2A 4328/4885MAPT 4/4885

“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.