SCHEMBL13280246

SCHEMBL13280246

COc1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.48
▸ KDM1A O60341 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CACNB4 O00305 1/20 0.36
▸ CACNA1A O00555 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNG3 O60359 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNG7 P62955 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
SCHEMBL15709992 1.00 BTK (0.48) BTKKDM1AMAOBPIK3CAMTOR
SCHEMBL13467831 0.91 BTK (0.48) BTKKDM1AMAOBPIK3CAMTOR
SCHEMBL15711089 0.91 BTK (0.48) BTKKDM1AMAOBPIK3CAMTOR
SCHEMBL17136157 0.88 BTK (0.42) BTKKDM1AMAOBPIK3CAMTOR
SCHEMBL17136156 0.88 BTK (0.42) BTKKDM1AMAOBPIK3CAMTOR
SCHEMBL13276989 0.85 KDM1A (0.42) BTKKDM1AMAOBDRD2KMT2A
SCHEMBL15710003 0.85 KDM1A (0.42) BTKKDM1AMAOBALDH1A1DRD2
SCHEMBL13281191 0.85 KDM1A (0.42) BTKKDM1AMAOBALDH1A1DRD2
SCHEMBL13276990 0.85 KDM1A (0.42) BTKKDM1AMAOBDRD2KMT2A
SCHEMBL13280762 0.80 BTK (0.40) BTKKDM1AMAOBPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 — — EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 — — EP disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 — — US disclosed
US-9376422-B2 Dihidropyridin-2-one benzamine compounds Epizyme, Inc. (US) 2016-06-28 — — US disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 — — EP disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 — — US disclosed
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 — — EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 — — 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-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL BTK 438/4885KDM1A 867/4885MAOB 269/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL BTK 438/4885KDM1A 867/4885MAOB 269/4885

“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.

Send feedback