SCHEMBL658370

SCHEMBL658370

COc1ccc(C2CN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)O4)CCN2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.34
CCR4 P51679 2/20 0.34
ALDH1A1 P00352 3/20 0.32
CHRNA7 P36544 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
PRTN3 P24158 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL660814 0.88 PDE4A (0.36) ALDH1A1
SCHEMBL658988 0.82 GSK3B (0.41) ALDH1A1ACHE
SCHEMBL658666 0.81 ALDH1A1 (0.44) HTR7ALDH1A1GAALMNARAB9A
SCHEMBL656623 0.80 DRD2 (0.33) HTR7CCR4ALDH1A1KDM4EGLA
SCHEMBL659546 0.79 ALDH1A1 (0.42) HTR7ALDH1A1GAALMNARAB9A
SCHEMBL660946 0.73 GAA (0.42) HTR7ALDH1A1GAALMNARAB9A
SCHEMBL658572 0.73 ALDH1A1 (0.40) HTR7ALDH1A1GAALMNA
SCHEMBL658371 0.72 ALDH1A1 (0.44) HTR7ALDH1A1KDM4EGAALMNA
SCHEMBL657136 0.71 ALDH1A1 (0.41) HTR7ALDH1A1GAALMNARAB9A
SCHEMBL2470599 0.71 QDPR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
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
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 (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 HTR7 70/4885CCR4 2969/4885ALDH1A1 618/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 HTR7 70/4885CCR4 2969/4885ALDH1A1 618/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HTR7 70/4885CCR4 2969/4885ALDH1A1 618/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HTR7 348/4885CCR4 1600/4885ALDH1A1 1010/4885

“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.