SCHEMBL659452

SCHEMBL659452

CC1(C)Cc2cc(Br)c(-c3cccnc3)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.39
KCNH2 Q12809 1/20 0.39
IRAK4 Q9NWZ3 9/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP19A1 P11511 3/20 0.38
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CTSD P07339 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.35

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
SCHEMBL660359 0.79 CYP11B1 (0.52) BACE1KCNH2CYP11B1CYP11B2CYP19A1
SCHEMBL657660 0.77 IRAK4 (0.38) KCNH2IRAK4NPC1RAB9AKDM4E
SCHEMBL16104251 0.75 IRAK4 (0.42) IRAK4CYP11B1ALDH1A1HSD17B10
SCHEMBL657006 0.73 ALDH1A1 (0.44) IRAK4CYP11B1CYP11B2GAANPC1
SCHEMBL14506748 0.70 CYP2A6 (0.53) CYP11B1CYP11B2GAANPC1TP53
SCHEMBL23093788 0.68 IRAK4 (0.40) BACE1IRAK4CTSDLMNA
SCHEMBL23524309 0.67 NPC1 (0.52) NPC1TP53RAB9AKDM4EALDH1A1
SCHEMBL25871463 0.67 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1GAANPC1
SCHEMBL22583211 0.66 LMNA (0.38) KCNH2IRAK4KDM4EALDH1A1CHRNB2
SCHEMBL23093790 0.63 RAB9A (0.38) IRAK4NPC1RAB9AALDH1A1LMNA

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 10 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
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-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
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

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 BACE1 3533/4885KCNH2 570/4885IRAK4 3781/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 BACE1 3533/4885KCNH2 570/4885IRAK4 3781/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 BACE1 3533/4885KCNH2 570/4885IRAK4 3781/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 BACE1 3871/4885KCNH2 646/4885IRAK4 2439/4885

“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.