SCHEMBL6232187

SCHEMBL6232187

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
LMNA P02545 4/20 0.70
ALDH1A1 P00352 4/20 0.70
NR4A2 P43354 1/20 0.70
HTT P42858 5/20 0.59
MAPT P10636 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ADORA3 P0DMS8 3/20 0.48
KDR P35968 1/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 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
SCHEMBL6539626 0.78 NR4A2 (0.50) KDM4ELMNAALDH1A1NR4A2HTT
SCHEMBL12152236 0.78 KDR (0.51) KDM4ELMNAALDH1A1NR4A2HTT
SCHEMBL1387329 0.77 KDM4E (0.65) KDM4ELMNAALDH1A1NR4A2HTT
SCHEMBL6539080 0.74 IKBKB (0.51) KDM4ELMNAALDH1A1NR4A2HTT
SCHEMBL3092563 0.74 PPARD (0.53) NR4A2MAPTGAAPPARD
SCHEMBL31194858 0.72 MAPK13 (0.54) KDM4ELMNAALDH1A1TDP1HPGD
SCHEMBL6539003 0.72 ALDH1A1 (0.46) KDM4ELMNAALDH1A1MAPTTDP1
SCHEMBL6539938 0.72 NR4A2 (0.69) KDM4ELMNAALDH1A1NR4A2HPGD
SCHEMBL25950410 0.72 POLB (0.72) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL15620489 0.71 MAPT (0.61) KDM4ELMNAALDH1A1MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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 KDM4E 1912/4885LMNA 2620/4885ALDH1A1 163/4885

“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.