SCHEMBL660836

SCHEMBL660836

Cc1c(C)c2c(c(C)c1Br)CC(C)(CN1CCS(=O)(=O)CC1)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
MAPK3 P27361 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL659619 0.87 USP2 (0.38) KMT2AUSP2TP53CYP3A4CYP2C9
SCHEMBL661399 0.85 USP2 (0.38) KMT2AMEN1USP2TP53CYP3A4
SCHEMBL659423 0.84 USP2 (0.33) KMT2AUSP2TP53CYP3A4CYP2C9
SCHEMBL657797 0.80 USP2 (0.33) ALDH1A1KMT2AUSP2TP53CYP3A4
SCHEMBL8713292 0.76
SCHEMBL656157 0.73 NR1I2 (0.33) KMT2AMEN1USP2CYP2C9LMNA
SCHEMBL659070 0.73
SCHEMBL657907 0.73 DRD2 (0.39) ALDH1A1KMT2AMEN1DRD2MAPT
SCHEMBL27382074 0.72 MAPT (0.30) KMT2AMEN1USP2CYP2C9LMNA
SCHEMBL658096 0.72 ALDH1A1 (0.36) NPC1ALDH1A1KMT2AMEN1TP53

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 10 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-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-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
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 NPC1 3456/4885ALDH1A1 618/4885KMT2A 593/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 NPC1 3456/4885ALDH1A1 618/4885KMT2A 593/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 NPC1 3456/4885ALDH1A1 618/4885KMT2A 593/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 NPC1 3798/4885ALDH1A1 1010/4885KMT2A 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.