SCHEMBL6539668

SCHEMBL6539668

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.58
MTNR1B P49286 6/20 0.58
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
IKBKB O14920 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARD Q03181 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 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
SCHEMBL6539766 0.87 IKBKB (0.46) ALDH1A1IKBKBPPARDKMT2AKDM4E
SCHEMBL6539373 0.86 PPARD (0.43) ALDH1A1IKBKBPPARDKDM4EMEN1
SCHEMBL6539903 0.85 PPARD (0.41) MTNR1AMTNR1BALDH1A1IKBKBLMNA
SCHEMBL6539080 0.84 IKBKB (0.51) ALDH1A1IKBKBSMN1; SMN2LMNAPPARD
SCHEMBL6540529 0.83 MTNR1A (0.58) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL6540499 0.82 MTNR1A (0.57) MTNR1AMTNR1BUSP2ALOX15TSHR
SCHEMBL6272841 0.81 PPARD (0.43) MTNR1AMTNR1BALDH1A1NPC1LMNA
SCHEMBL6252437 0.81 MTNR1A (0.42) MTNR1AMTNR1BMAPK1ALDH1A1IKBKB
SCHEMBL6539856 0.81 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1IKBKBNPC1
SCHEMBL6538996 0.80 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1IKBKBNPC1

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 MTNR1A 410/4885MTNR1B 474/4885USP2 1325/4885

“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.