SCHEMBL6539646

SCHEMBL6539646

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
NR4A2 P43354 5/20 0.39
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
GSK3B P49841 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6539696 0.92 PPARD (0.47) PPARDMTNR1AMTNR1BNR4A2NR4A1
SCHEMBL6539706 0.90 HDAC8 (0.44) PPARDHDAC8NR4A2NR4A1NR4A3
SCHEMBL6539197 0.89 PPARD (0.46) PPARDHDAC8NR4A2NR4A1NR4A3
SCHEMBL6538965 0.88 HDAC8 (0.45) PPARDMTNR1AMTNR1BHDAC8NPC1
SCHEMBL6540089 0.87 PPARD (0.41) PPARDMTNR1AMTNR1BHDAC8NR4A2
SCHEMBL6539587 0.85 PPARD (0.44) PPARDMTNR1AMTNR1BNR4A2
SCHEMBL6539575 0.84 PPARD (0.48) PPARDHDAC8NR4A2NR4A1NR4A3
SCHEMBL6539566 0.84 PPARD (0.41) PPARDHDAC8NR4A2NR4A1NR4A3
SCHEMBL6538996 0.84 MTNR1A (0.48) PPARDMTNR1AMTNR1BHDAC8GSK3B
SCHEMBL6539856 0.82 MTNR1A (0.48) PPARDMTNR1AMTNR1BHDAC8GSK3B

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.