SCHEMBL6538826

SCHEMBL6538826

COc1ccc(-c2nc(C(=O)c3ccccc3)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.55
KDM4E B2RXH2 5/20 0.52
HTT P42858 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 3/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 2/20 0.47
PPARD Q03181 2/20 0.46
CES2 O00748 1/20 0.45

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
SCHEMBL6539905 0.89 RCE1 (0.46) NR4A2KDM4EHTTTDP1LMNA
SCHEMBL6539626 0.82 NR4A2 (0.50) NR4A2KDM4EHTTTDP1LMNA
SCHEMBL6539080 0.81 IKBKB (0.51) NR4A2KDM4EHTTTDP1LMNA
SCHEMBL6229619 0.78 NR4A2 (0.58) NR4A2HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL10029680 0.78 NR4A2 (0.80) NR4A2KDM4ELMNARXRARXRB
SCHEMBL6207458 0.77 PPARD (0.49) NR4A2KDM4EHTTLMNASMN1; SMN2
SCHEMBL6231751 0.76 IKBKB (0.47) NR4A2KDM4ERXRARXRBRXRG
SCHEMBL6228777 0.76 TARBP2 (0.56) NR4A2KDM4EHTTSMN1; SMN2L3MBTL1
SCHEMBL6539397 0.76 NR4A2 (0.44) NR4A2KDM4EHTTTDP1LMNA
SCHEMBL27879778 0.76 NR4A2 (0.52) NR4A2KDM4EHTTTDP1LMNA

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 NR4A2 883/4885KDM4E 1912/4885HTT 3783/4885

“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.