SCHEMBL12967557

SCHEMBL12967557

CC(C)(C)OC(=O)CC(=O)NNC(=O)Cc1ccc2cc(Br)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ RXFP1 Q9HBX9 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33

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
SCHEMBL12597246 0.86 CYSLTR1 (0.34) HDAC1HDAC2CYSLTR2CYSLTR1NPC1
SCHEMBL12967556 0.78 HDAC1 (0.54) HDAC1HDAC2SMN1; SMN2L3MBTL1LMNA
SCHEMBL12940717 0.76 LIPG (0.45) HDAC1HDAC2SMN1; SMN2L3MBTL1LMNA
SCHEMBL12967446 0.75 ALDH1A1 (0.48) L3MBTL1LMNAMEN1KMT2AKDM4E
SCHEMBL12940726 0.73 HDAC1 (0.47) HDAC1HDAC2SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL1641523 0.72 HDAC1 (0.52) HDAC1HDAC2L3MBTL1MEN1KMT2A
SCHEMBL31434380 0.70 HDAC1 (0.51) HDAC1HDAC2LMNARXFP1BACE1
SCHEMBL24745514 0.70 MTNR1A (0.41) RXFP1NPC1RAB9A
SCHEMBL30121847 0.70 MTNR1A (0.41) RXFP1NPC1RAB9A
SCHEMBL31688990 0.70 BACE1 (0.43) HDAC1HDAC2SMN1; SMN2L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514749-B1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2015-02-25 — — EP disclosed
US-8754113-B2 Oxadiazole derivative having endothelial lipase inhibitory activity SHIONOGI & CO., LTD. (JP) 2014-06-17 — — US disclosed
EP-2514749-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2012-10-24 — — EP disclosed
US-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-10-04 — — 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-20120253040-A1 OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY LIPG, LPL, CEL HDAC1 615/4885HDAC2 1522/4885SMN1; SMN2 4057/4885

“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.

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