SCHEMBL657860

SCHEMBL657860

CCOc1ccc(N2CCN(c3c(C)c4c(c(OCC)c3C)OC(C)C4)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 6/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APP P05067 1/20 0.37
ALOX12 P18054 1/20 0.37
SNCA P37840 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 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
SCHEMBL658859 0.94 ALDH1A1 (0.43) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL659674 0.94 ALDH1A1 (0.38) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL659087 0.92 DHFR (0.35) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL658971 0.90 NPC1 (0.39) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL1726133 0.85 DRD2 (0.41) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL657683 0.84 S1PR1 (0.35) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL659015 0.83 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL657831 0.81 HTR6 (0.30)
SCHEMBL659633 0.80 KDM4E (0.36) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL660408 0.79 ALDH1A1 (0.38) KMT2AALDH1A1MAPTHSD17B10TP53

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 22 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-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-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
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
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
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 KMT2A 593/4885MEN1 2298/4885NPC1 3456/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 KMT2A 593/4885MEN1 2298/4885NPC1 3456/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KMT2A 593/4885MEN1 2298/4885NPC1 3456/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 KMT2A 635/4885MEN1 2740/4885NPC1 3798/4885

“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.