SCHEMBL657660

SCHEMBL657660

Cc1ccc(-c2cc3c(cc2Br)CC(C)(C)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.38
MAOB P27338 3/20 0.36
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
OPRD1 P41143 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIT P10721 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL659452 0.77 BACE1 (0.39) IRAK4KDM4EALDH1A1KCNH2NPC1
SCHEMBL660552 0.76 KIT (0.41) IRAK4MAOBMAPTKDM4EALDH1A1
SCHEMBL657523 0.72 HTR2A (0.33) IDO1
SCHEMBL12180466 0.72 KDM4E (0.38) IRAK4MAOBMAPTKDM4EALDH1A1
SCHEMBL12035985 0.72 MAPT (0.41) IRAK4MAOBMAPTKDM4EALDH1A1
SCHEMBL13319556 0.71 ALDH1A1 (0.46) MAOBMAPTKDM4EALDH1A1NPC1
SCHEMBL22265286 0.68 ALDH1A1 (0.36) IRAK4MAPTKDM4EALDH1A1
SCHEMBL659978 0.68 LMNA (0.34) MAOBMAPTNPC1RAB9AIDO1
SCHEMBL31185052 0.67 MAPT (0.40) MAOBMAPTKDM4EALDH1A1NPC1
SCHEMBL659413 0.67 MAOB (0.39) MAOBMAPTKDM4EALDH1A1PIM1

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 IRAK4 3781/4885MAOB 585/4885MAPT 3969/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 IRAK4 3781/4885MAOB 585/4885MAPT 3969/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 IRAK4 3781/4885MAOB 585/4885MAPT 3969/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 IRAK4 2439/4885MAOB 983/4885MAPT 4353/4885

“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.