SCHEMBL6539865

SCHEMBL6539865

COc1ccc(-c2nc(C(=NO)C3CC3)oc2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.36
RCE1 Q9Y256 1/20 0.35
GSK3B P49841 4/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
JAK1 P23458 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GABRA1 P14867 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CDK2 P24941 1/20 0.33
SCN9A Q15858 1/20 0.33
ABL1 P00519 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL6539849 1.00 PPARD (0.36) PPARDRCE1GSK3BACACBACACA
SCHEMBL6538954 0.90 PPARD (0.38) PPARDRCE1GSK3BACACBACACA
SCHEMBL6538915 0.87 PPARD (0.36) PPARDRCE1ACACBACACATAAR1
SCHEMBL6538909 0.87 PPARD (0.36) PPARDRCE1ACACBACACATAAR1
SCHEMBL6539798 0.87 GSK3B (0.36) PPARDRCE1GSK3BACACBACACA
SCHEMBL6539804 0.87 GSK3B (0.36) PPARDRCE1GSK3BACACBACACA
SCHEMBL6258240 0.83 PPARD (0.40) PPARDRCE1GSK3BTAAR1MKNK1
SCHEMBL6539472 0.82 HRH3 (0.38) PPARDRCE1GSK3BTAAR1MKNK1
SCHEMBL6539344 0.81 HPGD (0.42) PPARDRCE1TAAR1GABRA1CD274
SCHEMBL6272841 0.80 PPARD (0.43) PPARDRCE1GSK3BTAAR1MKNK1

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 1747/4885RCE1 337/4885GSK3B 3866/4885

“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.