SCHEMBL659633

SCHEMBL659633

COc1c(C)c(N2CCN(c3ccc(C)cc3)CC2)c(C)c2c1OC(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
GFER P55789 2/20 0.33
AKR1C3 P42330 1/20 0.33
ADRB1 P08588 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DHFR P00374 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
SCHEMBL659015 0.92 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL660691 0.91 LMNA (0.39) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL659038 0.88 MAOA (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL659087 0.87 DHFR (0.35) KDM4EALDH1A1HPGDTSHRMAPT
SCHEMBL659674 0.87 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10TSHRBACE1
SCHEMBL658766 0.86 DHFR (0.38) ALDH1A1HPGDMAPTAKR1C3ADRB1
SCHEMBL659075 0.85 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL658883 0.84 POLB (0.44) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL659355 0.84 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL660408 0.82 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10TSHRMAPT

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 18 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
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-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-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
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

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 KDM4E 1953/4885ALDH1A1 618/4885HSD17B10 242/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HSD17B10 242/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 KDM4E 1953/4885ALDH1A1 618/4885HSD17B10 242/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 KDM4E 1734/4885ALDH1A1 1010/4885HSD17B10 308/4885

“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.