SCHEMBL657303

SCHEMBL657303

COc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
TSHR P16473 1/20 0.33
ADRB1 P08588 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR2C P28335 2/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL657831 0.86 HTR6 (0.30) HTR6
SCHEMBL658221 0.85 ADRB1 (0.34) ALDH1A1ADRB1HTR2CLMNA
SCHEMBL659015 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10HTR3EHTR3B
SCHEMBL660691 0.78 LMNA (0.39) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL659038 0.76 MAOA (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL659629 0.74 HSP90AA1 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1724517 0.73 USP2 (0.35) ALDH1A1LMNAMAPT
SCHEMBL659767 0.71 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL660408 0.70 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10HTR3EHTR3B
SCHEMBL1726133 0.69 DRD2 (0.41) KDM4EALDH1A1HSD17B10TSHRDRD2

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 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.