SCHEMBL23722895

SCHEMBL23722895

CCN(CC)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.66
MAPT P10636 3/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
RAD52 P43351 2/20 0.64
CACNA1B Q00975 2/20 0.64
APBA1 Q02410 2/20 0.64
GAA P10253 2/20 0.64
RXFP1 Q9HBX9 2/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
UBE2I P63279 1/20 0.64
SAE1 Q9UBE0 1/20 0.64
UBA2 Q9UBT2 1/20 0.64
THRB P10828 1/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 2/20 0.63
UBE2N P61088 1/20 0.63
KMT2A Q03164 2/20 0.62

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
SCHEMBL23722876 0.93 KDM4E (0.72) TP53MAPTKDM4EALDH1A1RAD52
SCHEMBL23722863 0.91 KDM4E (0.70) TP53MAPTKDM4EALDH1A1RAD52
SCHEMBL23722872 0.89 HTT (0.75) TP53MAPTKDM4EALDH1A1CACNA1B
SCHEMBL23722843 0.87 RAD52 (0.81) TP53MAPTKDM4EALDH1A1RAD52
SCHEMBL23722850 0.84 MAPT (0.66) TP53MAPTKDM4EALDH1A1RAD52
SCHEMBL23722859 0.84 TACR3 (0.67) TP53MAPTKDM4EALDH1A1CACNA1B
SCHEMBL14970873 0.84 MOK (0.80) TP53MAPTKDM4EALDH1A1CACNA1B
SCHEMBL23722840 0.82 TACR3 (0.69) TP53KDM4EALDH1A1CACNA1BAPBA1
SCHEMBL23722867 0.82 ALDH1A1 (0.58) TP53MAPTKDM4EALDH1A1RAD52
SCHEMBL23722846 0.81 TACR3 (0.70) TP53MAPTKDM4EALDH1A1CACNA1B

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 TP53 138/4885MAPT 2912/4885KDM4E 2146/4885

“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.