SCHEMBL30454932

SCHEMBL30454932

CN(C)c1nc(NCc2ccco2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.56
REN P00797 1/20 0.56
MAPT P10636 10/20 0.56
KDM4E B2RXH2 7/20 0.56
NPSR1 Q6W5P4 7/20 0.56
MAPK1 P28482 7/20 0.56
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 6/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
XBP1 P17861 2/20 0.54
GPR55 Q9Y2T6 1/20 0.54
KCNH3 Q9ULD8 1/20 0.53
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL25253405 0.83 KDM4E (0.48) PDE5ARENMAPTKDM4ENPSR1
SCHEMBL13795461 0.82 MCHR1 (0.55) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25246241 0.81 KDM1A (0.58) PDE5AMAPTKDM4ENPSR1MAPK1
SCHEMBL30455311 0.81 MAPT (0.81) PDE5ARENMAPTKDM4ENPSR1
SCHEMBL13795554 0.79 MCHR1 (0.57)
SCHEMBL30454981 0.79 BCHE (0.56) MAPTKDM4EMAPK1KMT2AALDH1A1
SCHEMBL13795523 0.78 MCHR1 (0.50) ALDH1A1
SCHEMBL30455471 0.78 MAPT (0.72) PDE5ARENMAPTKDM4ENPSR1
SCHEMBL13796161 0.77 MCHR1 (0.53)
SCHEMBL14869577 0.76 MAPT (0.58) MAPTKDM4ENPSR1MAPK1KMT2A

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 PDE5A 272/4885REN 4606/4885MAPT 4331/4885

“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.