SCHEMBL25253405

SCHEMBL25253405

CN(C)c1nc(NCc2ccco2)nc2cc(O)c(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNH3 Q9ULD8 3/20 0.46
MAPT P10636 9/20 0.45
KMT2A Q03164 8/20 0.45
MAPK1 P28482 7/20 0.45
NPSR1 Q6W5P4 5/20 0.45
ADRB2 P07550 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 3/20 0.43

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
SCHEMBL25246241 0.84 KDM1A (0.58) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL30454932 0.83 PDE5A (0.56) KDM4EALDH1A1GAAHPGDTP53
SCHEMBL25246787 0.80 F2RL1 (0.56) KDM4EALDH1A1GAAHPGDTP53
SCHEMBL14869577 0.72 MAPT (0.58) KDM4EALDH1A1GAAALOX15HSD17B10
SCHEMBL1391236 0.69 MAPT (0.72) KDM4EALDH1A1GAAHPGDKCNH3
Hydrochloric Acid SCHEMBL1390759 0.68 MAPT (0.71) KDM4EALDH1A1GAAHPGDKCNH3
SCHEMBL14869578 0.67 KCNH3 (0.64) KDM4EALDH1A1HSD17B10KCNH3MAPT
SCHEMBL2451261 0.67 LMNA (0.52) KDM4EALDH1A1GAAALOX15KCNH3
SCHEMBL13795461 0.67 MCHR1 (0.55) KDM4EALDH1A1HPGDTP53GLA
SCHEMBL13795554 0.66 MCHR1 (0.57)

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-20250051290-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF UNIV AJOU IND ACADEMIC COOP FOUND (KR) 2025-02-13 US disclosed
WO-2023121429-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF 아주대학교산학협력단 2023-06-29 WO 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-20250051290-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF ADORA2A, HCRTR1, ADORA1 KDM4E 1094/4885ALDH1A1 1796/4885GAA 2492/4885

“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.