SCHEMBL23722909

SCHEMBL23722909

CN(C)CCNC(=O)c1cc(-c2ccc(F)cc2F)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MOK Q9UQ07 1/20 0.62
HTT P42858 1/20 0.56
CACNA1B Q00975 2/20 0.55
APBA1 Q02410 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.52
TP53 P04637 5/20 0.52
MAPT P10636 4/20 0.51
RAD52 P43351 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
UBE2I P63279 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL23722825 0.88 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL23722878 0.87 MOK (0.76) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL31490619 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL23722926 0.85 MOK (0.64) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL23722912 0.84 MOK (0.68) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL23722922 0.84 MOK (0.65) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL14970873 0.83 MOK (0.80) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL23723077 0.83 MOK (0.64) ALDH1A1SMN1; SMN2MOKHTTMEN1
SCHEMBL24449147 0.83 MOK (0.66) ALDH1A1SMN1; SMN2MOKHTTCACNA1B
SCHEMBL31490610 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MOKHTTGAA

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

“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.