SCHEMBL659890

SCHEMBL659890

COc1ccc(-c2ccnc(N3CCN(c4c(C)c(C)c5c(c4C)CC(C)(C)O5)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SLC6A7 Q99884 1/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
PTBP1 P26599 1/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
ABCB1 P08183 1/20 0.36
MEN1 O00255 3/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL660791 0.83 ALDH1A1 (0.39) HSP90AA1HSP90AB1CYP3A4CYP2D6SLC6A7
SCHEMBL13187104 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1SLC6A7
SCHEMBL658427 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1L3MBTL1SLC6A7KDM4E
SCHEMBL658597 0.79 DRD2 (0.46) L3MBTL1RAB9AKMT2AMAPTMEN1
SCHEMBL657924 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1L3MBTL1SLC6A7KDM4E
SCHEMBL659005 0.77 DRD2 (0.43) L3MBTL1RAB9AHPGDKMT2AMAPT
SCHEMBL658842 0.73 HTR1A (0.38) CYP3A4CYP2D6KDM4EKMT2AMAPT
SCHEMBL657755 0.73 HSP90AA1 (0.32) HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL657545 0.72 TRPV1 (0.39) HSP90AA1HSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL660132 0.71 DRD2 (0.44) L3MBTL1RAB9AKMT2AMAPTMEN1

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 21 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-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-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 CA2 4007/4885CA9 4878/4885HSP90AA1 1923/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 CA2 4007/4885CA9 4878/4885HSP90AA1 1923/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 CA2 4007/4885CA9 4878/4885HSP90AA1 1923/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 CA2 3171/4885CA9 4750/4885HSP90AA1 1767/4885

“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.