SCHEMBL6539587

SCHEMBL6539587

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.44
NR4A2 P43354 6/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CASR P41180 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL6538879 0.88 CA12 (0.43) PPARDNR4A2BCHECNR2
SCHEMBL6538931 0.88 PPARD (0.48) PPARDNR4A2RXRARXRBBCHE
SCHEMBL6539118 0.87 PPARD (0.49) PPARDNR4A2RXRARXRBBCHE
SCHEMBL6539615 0.86 PPARD (0.44) PPARDNR4A2ALDH1A1
SCHEMBL6539646 0.85 PPARD (0.42) PPARDNR4A2MTNR1AMTNR1B
SCHEMBL6538996 0.84 MTNR1A (0.48) PPARDMTNR1AMTNR1BALDH1A1NPSR1
SCHEMBL6539856 0.82 MTNR1A (0.48) PPARDMTNR1AMTNR1BALDH1A1NPSR1
SCHEMBL6538965 0.82 HDAC8 (0.45) PPARDMTNR1AMTNR1BALDH1A1
SCHEMBL6540121 0.82 PPARD (0.52) PPARDNR4A2RXRARXRB
SCHEMBL6539901 0.81 PPARD (0.44) PPARDNR4A2RXRARXRBBCHE

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 PPARD 1747/4885NR4A2 883/4885MTNR1A 410/4885

“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.