SCHEMBL23722872

SCHEMBL23722872

CN(C)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.75
MOK Q9UQ07 1/20 0.70
TP53 P04637 5/20 0.68
TACR3 P29371 2/20 0.65
MEN1 O00255 1/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 3/20 0.59
RXFP1 Q9HBX9 2/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
THRB P10828 1/20 0.57
TRPV1 Q8NER1 1/20 0.57

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 0.93 MOK (0.80) HTTMOKTP53TACR3MEN1
SCHEMBL16099320 0.89 HTT (0.61) HTTMOKTP53TACR3MEN1
SCHEMBL23722895 0.89 TP53 (0.66) HTTMOKTP53TACR3MEN1
Hydrochloric Acid SCHEMBL16098467 0.88 HTT (0.60) HTTMOKTP53TACR3MEN1
SCHEMBL23722859 0.86 TACR3 (0.67) MOKTP53TACR3MEN1CACNA1B
SCHEMBL23722878 0.85 MOK (0.76) HTTMOKTP53TACR3MEN1
SCHEMBL23722857 0.85 MAPT (0.81) HTTTP53MEN1CACNA1BAPBA1
SCHEMBL23722840 0.84 TACR3 (0.69) HTTTP53TACR3MEN1CACNA1B
SCHEMBL23722876 0.84 KDM4E (0.72) HTTMOKTP53TACR3MEN1
SCHEMBL23722846 0.83 TACR3 (0.70) HTTMOKTP53TACR3MEN1

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 HTT 2642/4885MOK 4545/4885TP53 138/4885

“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.