SCHEMBL6539778

SCHEMBL6539778

COc1ccc(-c2nc(OC3CCCC3)oc2-c2ccc(OCCNC(N)=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CNR1 P21554 1/20 0.40
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PPARD Q03181 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 1/20 0.38
GSK3B P49841 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL6539856 0.88 MTNR1A (0.48) KDM4EMTNR1AMTNR1BCNR1PPARD
SCHEMBL6539412 0.85 MTNR1A (0.45) KDM4EMTNR1AMTNR1BPPARDMEN1
SCHEMBL6539756 0.84 MTNR1A (0.44) KDM4EMTNR1AMTNR1BPPARDMEN1
SCHEMBL6538890 0.83 MTNR1A (0.44) KDM4EMTNR1AMTNR1BCNR1PPARD
SCHEMBL6539805 0.83 MTNR1A (0.44) KDM4EMTNR1AMTNR1BCNR1PPARD
SCHEMBL6539064 0.81 MTNR1A (0.42) KDM4EMTNR1AMTNR1BPPARDMEN1
SCHEMBL6540382 0.81 ALDH1A1 (0.43) KDM4EMTNR1AMTNR1BPPARDMEN1
SCHEMBL6539042 0.81 MTNR1A (0.42) KDM4EMTNR1AMTNR1BPPARDMEN1
SCHEMBL6538739 0.79 KMT2A (0.47) KDM4EMTNR1AMTNR1BPPARDMEN1
SCHEMBL6538996 0.79 MTNR1A (0.48) KDM4EMTNR1AMTNR1BPPARDMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 KDM4E 1912/4885MTNR1A 410/4885MTNR1B 474/4885

“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.