SCHEMBL12967556

SCHEMBL12967556

NNC(=O)Cc1ccc2cc(Br)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.54
▸ HDAC2 Q92769 7/20 0.54
▸ BACE1 P56817 1/20 0.46
▸ GAA P10253 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ P4HB P07237 1/20 0.40
▸ OGG1 O15527 1/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PLA2G2A P14555 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
SCHEMBL31434380 0.83 HDAC1 (0.51) HDAC1HDAC2BACE1GAAALDH1A1
SCHEMBL12597247 0.82 KDM4E (0.39) HDAC1HDAC2GAAMAPTALDH1A1
SCHEMBL1641523 0.81 HDAC1 (0.52) HDAC1HDAC2BACE1GAAMAPT
Anthracene SCHEMBL10418182 0.78 ALDH1A1 (0.54) HDAC1HDAC2GAAMAPTALDH1A1
SCHEMBL12967557 0.78 HDAC1 (0.45) HDAC1HDAC2BACE1KDM4ELMNA
SCHEMBL12940726 0.74 HDAC1 (0.47) HDAC1HDAC2BACE1GAAMAPT
SCHEMBL14925243 0.74 BACE1 (0.53) HDAC1HDAC2BACE1MAPTALDH1A1
SCHEMBL30718905 0.74 BACE1 (0.53) HDAC1HDAC2BACE1MAPTALDH1A1
SCHEMBL1599686 0.74 BACE1 (0.58) HDAC1HDAC2BACE1MAPTALDH1A1
SCHEMBL27779108 0.74 BACE1 (0.53) HDAC1HDAC2BACE1MAPTALDH1A1

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 1522/4885BACE1 1223/4885

“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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