SCHEMBL23722914

SCHEMBL23722914

O=C(NCC1CNC1)c1cc(-c2cccs2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
ALDH1A1 P00352 6/20 0.67
GAA P10253 3/20 0.67
HPGD P15428 4/20 0.64
THRB P10828 2/20 0.64
GLA P06280 2/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 5/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
HCRTR1 O43613 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL23722853 0.85 ACACB (0.66) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL23722899 0.84 KDM4E (0.65) KDM4EALDH1A1GAAHPGDTHRB
SCHEMBL23722824 0.81 KDM4E (1.00) KDM4EALDH1A1GAAHPGDTHRB
SCHEMBL23746478 0.81 ACACB (0.52) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL23722906 0.81 KDM4E (0.77) KDM4EALDH1A1GAAHPGDTHRB
SCHEMBL23722823 0.80 GAA (0.58) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL23722833 0.80 ATM (0.77) KDM4EALDH1A1GAAHPGDTHRB
SCHEMBL23722822 0.79 KDM4E (0.69) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL4501492 0.79 KDM4E (0.64) KDM4EALDH1A1GAAHPGDTHRB
SCHEMBL23722900 0.78 MAPT (0.74) KDM4EALDH1A1GAAHPGDTHRB

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.