SCHEMBL30455311

SCHEMBL30455311

c1coc(CNc2nc(NCc3ccco3)c3ccccc3n2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.81
NPSR1 Q6W5P4 7/20 0.81
KDM4E B2RXH2 6/20 0.81
MAPK1 P28482 6/20 0.81
PDE5A O76074 1/20 0.73
REN P00797 1/20 0.73
KMT2A Q03164 8/20 0.72
ALDH1A1 P00352 6/20 0.72
LMNA P02545 6/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
HTT P42858 4/20 0.72
XBP1 P17861 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
ADRB2 P07550 1/20 0.72
GAA P10253 1/20 0.72
BLM P54132 1/20 0.72
GPR55 Q9Y2T6 1/20 0.72
MEN1 O00255 4/20 0.71
POLB P06746 1/20 0.71
HPGD P15428 2/20 0.70

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
SCHEMBL30455471 0.93 MAPT (0.72) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL10031970 0.90 MAPT (0.67) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL29490089 0.89 CTNNB1 (0.77) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL22342962 0.89 CTNNB1 (0.77) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL30455086 0.87 APP (0.70) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL30455170 0.86 PDE5A (0.70) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL21460561 0.86 PDE5A (0.70) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL10031962 0.85 MAPT (0.98) MAPTNPSR1KDM4EMAPK1PDE5A
SCHEMBL10031960 0.85 MAPT (0.98) MAPTNPSR1KDM4EMAPK1KMT2A
SCHEMBL1084042 0.85 PDE5A (1.00) MAPTNPSR1KDM4EMAPK1PDE5A

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 MAPT 4331/4885NPSR1 46/4885KDM4E 1094/4885

“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.