SCHEMBL6539042

SCHEMBL6539042

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARD Q03181 10/20 0.41
NPC1 O15118 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
IKBKB O14920 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6539856 0.89 MTNR1A (0.48) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6539805 0.89 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6539412 0.88 MTNR1A (0.45) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6206961 0.87 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1ALDH1A1
SCHEMBL6539064 0.87 MTNR1A (0.42) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6539756 0.85 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6540382 0.85 ALDH1A1 (0.43) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6540430 0.82 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6538927 0.82 MTNR1A (0.44) MTNR1AMTNR1BPPARDNPC1PTGS2
SCHEMBL6539778 0.81 KDM4E (0.42) MTNR1AMTNR1BPPARDNPC1ALDH1A1

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 474/4885PPARD 1747/4885

“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.