SCHEMBL23722882

SCHEMBL23722882

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 8/20 0.60
MAPT P10636 6/20 0.60
HPGD P15428 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
USP2 O75604 1/20 0.60
TP53 P04637 1/20 0.60
CASP1 P29466 1/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.57
PDE10A Q9Y233 1/20 0.57
GAA P10253 1/20 0.55
PLA2G2A P14555 1/20 0.55
DHODH Q02127 1/20 0.54

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
SCHEMBL28676204 0.85 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL31531878 0.83 KDM4E (0.79) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL10678483 0.83 KDM4E (0.79) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL16198511 0.82 PLA2G2A (0.65) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL2576382 0.79 KDM4E (0.76) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL14970873 0.78 MOK (0.80) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10760517 0.78 ALDH1A1 (0.80) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL31310820 0.77 PLA2G2A (0.65) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5400497 0.77 PLA2G2A (0.65) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL8769994 0.77 PHLPP2 (0.53) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2

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 3667/4885MAPT 2912/4885

“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.