SCHEMBL659723

SCHEMBL659723

C=C(C)c1c2c(c(C)c(C)c1N1CCN(c3ccc(OC)cc3)CC1)OC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
AKR1C3 P42330 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 1/20 0.38
DRD2 P14416 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL658597 0.88 DRD2 (0.46) PKMALDH1A1GAAHTTKMT2A
SCHEMBL659005 0.85 DRD2 (0.43) PKMALDH1A1GAAHTTKMT2A
SCHEMBL658322 0.82 ALDH1A1 (0.41) PKMALDH1A1GAAHTTKMT2A
SCHEMBL658823 0.81 ALDH1A1 (0.39) PKMALDH1A1GAAHTTKMT2A
SCHEMBL659519 0.81 HTT (0.41) PKMALDH1A1GAAHTTKMT2A
SCHEMBL660304 0.81 DRD2 (0.44) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL657655 0.80 ALDH1A1 (0.46) PKMALDH1A1GAAHTTKMT2A
SCHEMBL657136 0.80 ALDH1A1 (0.41) PKMALDH1A1GAAHTTKMT2A
SCHEMBL660132 0.79 DRD2 (0.44) PKMALDH1A1GAAHTTKMT2A
SCHEMBL660722 0.78 DRD2 (0.43) PKMALDH1A1GAAHTTKMT2A

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 16 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
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US 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-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-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-20120232096-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-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
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 PKM 3075/4885ALDH1A1 618/4885GAA 4738/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 PKM 3075/4885ALDH1A1 618/4885GAA 4738/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 PKM 3075/4885ALDH1A1 618/4885GAA 4738/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 PKM 2047/4885ALDH1A1 1010/4885GAA 4790/4885

“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.