SCHEMBL16397494

SCHEMBL16397494

COc1c(CNC(=O)OC(C)(C)C)c(=O)[nH]n1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ GFER P55789 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ DRD2 P14416 5/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4A O75164 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 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
SCHEMBL16402945 0.83 KDM4E (0.45) KDM4ELMNAL3MBTL1GFERALDH1A1
SCHEMBL22535973 0.73 TDP1 (0.43) KDM4ELMNAL3MBTL1GFERHSD17B10
SCHEMBL16402390 0.70 KDM4E (0.42) KDM4ELMNAL3MBTL1GFERKDM4A
SCHEMBL22535987 0.69 TDP1 (0.46) KDM4ELMNAL3MBTL1GFERPOLB
SCHEMBL25930340 0.68 EZH2 (0.48) —
SCHEMBL22535990 0.68 TDP1 (0.44) KDM4ELMNAL3MBTL1GFERPOLB
SCHEMBL12906668 0.66 KDM4A (0.43) KDM4ELMNAL3MBTL1GFERHSD17B10
SCHEMBL16120372 0.66 EZH2 (0.51) —
SCHEMBL11400715 0.66 KDM4E (0.36) KDM4ELMNAL3MBTL1GFERHSD17B10
SCHEMBL21500329 0.65 EZH2 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150764-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-12-11 — — US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 — — US disclosed
EP-3022184-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-05-25 — — EP disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 — — 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 (2 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-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL KDM4E 711/4885LMNA 1888/4885L3MBTL1 2668/4885
US-10150764-B2 Substituted benzene compounds CYP1B1, TP53, VHL KDM4E 711/4885LMNA 1888/4885L3MBTL1 2668/4885

“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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