SCHEMBL21342884

SCHEMBL21342884

CC(C)(C)OC(=O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)N=C1/C=C/c1cccc2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
NQO2 P16083 2/20 0.33
NR0B1 P51843 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL21342158 0.98 MAPT (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21342157 0.90 AKR1B1 (0.34) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL21342890 0.90 KMT2A (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21342502 0.85 POLB (0.32) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL21342169 0.85 DTYMK (0.30) KDM4E
SCHEMBL21342160 0.84 POLB (0.32) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL21342159 0.82 KDM4E (0.31) MEN1KMT2AKDM4E
SCHEMBL21342165 0.82 KMT2A (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21342486 0.82 KMT2A (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21342487 0.81 KMT2A (0.38) MAPTMEN1KMT2ANPC1RAB9A

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 MAPT 4/4885MEN1 4014/4885KMT2A 4328/4885

“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.