SCHEMBL657683

SCHEMBL657683

CCOc1c(C)c(N2CCN(c3ccc(OC)c(C)c3)CC2)c(C)c2c1OC(C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
POLL Q9UGP5 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 6/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
MAPK1 P28482 3/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SSTR5 P35346 1/20 0.33
THRB P10828 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MPI P34949 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
SCHEMBL659075 0.91 ALDH1A1 (0.40) POLLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL660107 0.87 POLL (0.39) POLLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL658859 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTNPSR1
SCHEMBL659087 0.85 DHFR (0.35) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL657860 0.84 KMT2A (0.38) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL658971 0.83 NPC1 (0.39) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL659674 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAPTNPSR1
SCHEMBL659355 0.81 ALDH1A1 (0.36) POLLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1726133 0.78 DRD2 (0.41) ALDH1A1KDM4EHSD17B10MAPTNPSR1
SCHEMBL659633 0.77 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 23 patents — showing the first 20. 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-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-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-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-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
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 (3 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 S1PR1 3510/4885POLL 1346/4885ALDH1A1 618/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 S1PR1 3510/4885POLL 1346/4885ALDH1A1 618/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 S1PR1 2832/4885POLL 923/4885ALDH1A1 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.