SCHEMBL23722902

SCHEMBL23722902

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.72
ALDH1A1 P00352 8/20 0.72
GAA P10253 5/20 0.72
ATM Q13315 1/20 0.68
TACR3 P29371 1/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 5/20 0.60
TP53 P04637 2/20 0.59
HPGD P15428 4/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GLA P06280 1/20 0.57
THRB P10828 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL23722898 0.88 ATM (0.68) KDM4EALDH1A1GAAATMTACR3
SCHEMBL23722860 0.84 TACR3 (0.73) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL23722824 0.84 KDM4E (1.00) KDM4EALDH1A1GAAATMTACR3
SCHEMBL23722906 0.81 KDM4E (0.77) KDM4EALDH1A1GAAATMMEN1
SCHEMBL4460134 0.79 TACR3 (1.00) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL4460131 0.79 TACR3 (1.00) KDM4EALDH1A1TACR3MEN1KMT2A
SCHEMBL23722833 0.78 ATM (0.77) KDM4EALDH1A1GAAATMTACR3
SCHEMBL13312183 0.78 MEN1 (0.74) KDM4EALDH1A1GAAATMTACR3
SCHEMBL5190972 0.78 KDM4E (0.74) KDM4EALDH1A1GAAATMTACR3
SCHEMBL4461418 0.78 KDM4E (0.74) KDM4EALDH1A1GAAATMMEN1

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 KDM4E 2146/4885ALDH1A1 3667/4885GAA 2265/4885

“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.