SCHEMBL656207

SCHEMBL656207

Cc1c(C(O)C2CCCCC2)oc2ccc(N3CCOCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
PRKDC P78527 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP12 P39900 1/20 0.38
BRD4 O60885 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL721066 0.88 NPC1 (0.34) L3MBTL1MAPTPRKDCNPC1RAB9A
SCHEMBL717053 0.81 NPC1 (0.45) KMT2ANPC1RAB9AALDH1A1BRD4
SCHEMBL721192 0.77 MCL1 (0.45) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL718925 0.77 NPC1 (0.55) L3MBTL1MAPTKMT2ANPC1RAB9A
SCHEMBL720875 0.77 RAB9A (0.46) L3MBTL1NPC1TSHRRAB9AALDH1A1
SCHEMBL716333 0.77 NPC1 (0.41) L3MBTL1NPC1RAB9APOLB
SCHEMBL718548 0.76 RAB9A (0.53) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL718063 0.75 RAB9A (0.57) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL716447 0.74 NPC1 (0.37) NPC1TSHRRAB9AALDH1A1POLB
SCHEMBL720515 0.74 NPC1 (0.51) MAPTMEN1KMT2ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US claimed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP claimed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US claimed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO claimed
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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (6 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885MAPT 4533/4885PRKDC 3885/4885
US-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 L3MBTL1 2934/4885MAPT 3969/4885PRKDC 4384/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 L3MBTL1 2934/4885MAPT 3969/4885PRKDC 4384/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 L3MBTL1 2934/4885MAPT 3969/4885PRKDC 4384/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885MAPT 4533/4885PRKDC 3885/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 L3MBTL1 2266/4885MAPT 4353/4885PRKDC 2675/4885

“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.