SCHEMBL661004

SCHEMBL661004

CC(=O)c1c(C)c(Br)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL660943 0.78 EZH2 (0.33) EZH2
SCHEMBL1723835 0.70 EZH2 (0.37) EZH2
SCHEMBL4510986 0.68 EZH2 (0.34) EZH2
SCHEMBL659615 0.68 EZH2 (0.31) EZH2
SCHEMBL8716967 0.66 MEN1 (0.36) EZH2MEN1KMT2A
SCHEMBL13592375 0.66 MEN1 (0.48) MEN1KMT2A
SCHEMBL8747110 0.66 ALDH1A1 (0.33) EZH2MEN1KMT2A
SCHEMBL8878352 0.64 PTGS1 (0.32) EZH2MEN1KMT2A
SCHEMBL8877840 0.64 ALDH1A1 (0.31) EZH2MEN1KMT2A
SCHEMBL8878550 0.64 ALDH1A1 (0.31) EZH2MEN1KMT2A

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
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 (4 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 EZH2 2727/4885MEN1 2298/4885KMT2A 593/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 EZH2 2727/4885MEN1 2298/4885KMT2A 593/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 EZH2 2727/4885MEN1 2298/4885KMT2A 593/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 EZH2 1604/4885MEN1 2740/4885KMT2A 635/4885

“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.