SCHEMBL16896942

SCHEMBL16896942

COc1cc2c(cc1-c1c(C)noc1C)OCC(=O)N2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EZH2 Q15910 2/20 0.42
▸ SLC5A1 P13866 11/20 0.42
▸ SLC5A2 P31639 11/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ PIK3CG P48736 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 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
SCHEMBL16896882 0.92 PIK3CG (0.42) EZH2SLC5A1SLC5A2BRD4CYP3A4
SCHEMBL16896893 0.91 BRD4 (0.44) L3MBTL1EZH2BRD4CYP3A4CYP2C9
SCHEMBL16896867 0.89 BRD4 (0.41) EZH2BRD4CYP3A4CYP2C9BRD2
SCHEMBL16897775 0.88 BRD4 (0.44) L3MBTL1EZH2BRD4CYP3A4CYP2C9
SCHEMBL18317138 0.88 BRD4 (0.41) L3MBTL1EZH2BRD4CYP3A4CYP2C9
SCHEMBL18317114 0.87 BRD4 (0.41) L3MBTL1EZH2BRD4CYP3A4CYP2C9
SCHEMBL16896794 0.86 BRD4 (0.43) L3MBTL1BRD4CYP3A4CYP2C9BRD2
SCHEMBL18326396 0.84 L3MBTL1 (0.43) L3MBTL1SLC5A1SLC5A2BRD4PIK3CG
SCHEMBL16896812 0.84 EZH2 (0.42) EZH2BRD4CYP3A4CYP2C9BRD2
SCHEMBL16896816 0.83 BRD4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US claimed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US claimed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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 (3 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 L3MBTL1 2541/4885EZH2 1837/4885SLC5A1 2995/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 L3MBTL1 2541/4885EZH2 1837/4885SLC5A1 2995/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 L3MBTL1 2541/4885EZH2 1837/4885SLC5A1 2995/4885

“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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