SCHEMBL6539696

SCHEMBL6539696

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.47
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NR4A2 P43354 5/20 0.42
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
NPC1 O15118 1/20 0.40
GSK3B P49841 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6539646 0.92 PPARD (0.42) PPARDMTNR1AMTNR1BNR4A2NR4A1
SCHEMBL6539197 0.90 PPARD (0.46) PPARDNR4A2NR4A1NR4A3GSK3B
SCHEMBL6539706 0.89 HDAC8 (0.44) PPARDNR4A2NR4A1NR4A3GSK3B
SCHEMBL6540089 0.88 PPARD (0.41) PPARDMTNR1AMTNR1BNR4A2NR4A1
SCHEMBL6539575 0.85 PPARD (0.48) PPARDNR4A2NR4A1NR4A3RXRA
SCHEMBL6539535 0.85 PPARD (0.51) PPARDNR4A2NR4A1NR4A3GSK3B
SCHEMBL6540384 0.85 PPARD (0.42) PPARDNR4A2NR4A1NR4A3RXRA
SCHEMBL6539566 0.84 PPARD (0.41) PPARDNR4A2NR4A1NR4A3GSK3B
SCHEMBL6539700 0.83 SUCNR1 (0.46) PPARD
SCHEMBL6539653 0.83 PPARD (0.51) PPARDNR4A2GSK3BRXRARXRB

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 1747/4885MTNR1A 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.