SCHEMBL6252437

SCHEMBL6252437

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
PPARD Q03181 3/20 0.37
PTGS2 P35354 1/20 0.37
SMPD1 P17405 1/20 0.37
CA12 O43570 2/20 0.36
CA4 P22748 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL6208406 0.87 PPARD (0.41) ALDH1A1NPC1LMNASMN1; SMN2TP53
SCHEMBL6278136 0.87 ALDH1A1 (0.39) MTNR1AMTNR1BALDH1A1NPSR1NPC1
SCHEMBL6231402 0.86 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1NPSR1NPC1
Hydrochloric Acid SCHEMBL6538966 0.86 PPARD (0.39) ALDH1A1NPC1LMNASMN1; SMN2TP53
SCHEMBL6539756 0.83 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NPSR1NPC1
SCHEMBL6539856 0.83 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1NPSR1NPC1
SCHEMBL6539608 0.82 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1NPSR1NPC1
SCHEMBL6538846 0.82 KMT2A (0.45) MTNR1AMTNR1BALDH1A1NPSR1NPC1
SCHEMBL6539757 0.82 PPARD (0.43) ALDH1A1NPC1LMNASMN1; SMN2TP53
SCHEMBL6538927 0.82 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NPSR1NPC1

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 MTNR1A 410/4885MTNR1B 474/4885ALDH1A1 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.