SCHEMBL23722898

SCHEMBL23722898

CC(CN(C)C)NC(=O)c1cc(-c2cccs2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 8/20 0.66
GAA P10253 4/20 0.66
MAPT P10636 7/20 0.64
TACR3 P29371 2/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 6/20 0.58
TP53 P04637 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GLA P06280 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
POLB P06746 1/20 0.56
CNR1 P21554 1/20 0.55

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
SCHEMBL23722902 0.88 KDM4E (0.72) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL23722907 0.85 TACR3 (0.76) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL23722900 0.81 MAPT (0.74) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL23722824 0.80 KDM4E (1.00) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL23722857 0.80 MAPT (0.81) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL4460134 0.78 TACR3 (1.00) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL4460131 0.78 TACR3 (1.00) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL23722833 0.77 ATM (0.77) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL13312183 0.76 MEN1 (0.74) ATMKDM4EALDH1A1GAAMAPT
SCHEMBL4461418 0.76 KDM4E (0.74) ATMKDM4EALDH1A1GAAMAPT

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 ATM 4238/4885KDM4E 2146/4885ALDH1A1 3667/4885

“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.