SCHEMBL23722912

SCHEMBL23722912

CN(C)CCNC(=O)c1cc(-c2cc(F)c(F)c(F)c2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 2/20 0.68
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 1/20 0.57
CACNA1B Q00975 2/20 0.56
APBA1 Q02410 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 5/20 0.54
TACR3 P29371 2/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
RAD52 P43351 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 1/20 0.52
UBE2I P63279 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 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
SCHEMBL14970873 0.89 MOK (0.80) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL23722878 0.88 MOK (0.76) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL23722922 0.87 MOK (0.65) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL23722926 0.86 MOK (0.64) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL23722825 0.85 ALDH1A1 (0.63) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL23722909 0.84 ALDH1A1 (0.64) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL23722872 0.82 HTT (0.75) MOKALDH1A1HTTCACNA1BAPBA1
SCHEMBL23723077 0.82 MOK (0.64) MOKALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL24449147 0.81 MOK (0.66) MOKALDH1A1SMN1; SMN2HTTCACNA1B
SCHEMBL19475306 0.81 MOK (1.00) MOKALDH1A1MEN1KMT2ARAD52

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-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
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 4545/4885ALDH1A1 3667/4885SMN1; SMN2 4595/4885

“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.