SCHEMBL23746385

SCHEMBL23746385

Bc1c(B)c(B)c(-c2cc(C(=O)NCCN(C)C)c3ccccc3n2)c(B)c1B

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 1/20 0.65
HTT P42858 1/20 0.59
CACNA1B Q00975 2/20 0.58
APBA1 Q02410 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 6/20 0.53
MAPT P10636 5/20 0.53
RXFP1 Q9HBX9 4/20 0.53
RAD52 P43351 3/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
UBE2I P63279 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL23722922 0.87 MOK (0.65) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23746673 0.86 MEN1 (0.60) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL14970873 0.86 MOK (0.80) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23722926 0.86 MOK (0.64) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23746703 0.85 CACNA1B (0.62) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23722825 0.85 ALDH1A1 (0.63) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL24449147 0.83 MOK (0.66) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23722878 0.81 MOK (0.76) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23722879 0.81 CACNA1B (0.80) MOKHTTCACNA1BAPBA1MEN1
SCHEMBL23722900 0.81 MAPT (0.74) MOKMEN1KMT2AALDH1A1TP53

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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT MOK 4545/4885HTT 2642/4885CACNA1B 1847/4885

“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.