SCHEMBL659629

SCHEMBL659629

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CUL4A Q13619 1/20 0.33
PDE10A Q9Y233 2/20 0.32
CSNK1D P48730 1/20 0.32
ADRB1 P08588 3/20 0.31
HTR3E A5X5Y0 3/20 0.31
HTR3B O95264 3/20 0.31
HTR3A P46098 3/20 0.31
HTR3D Q70Z44 3/20 0.31
HTR3C Q8WXA8 3/20 0.31
SIGMAR1 Q99720 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 1/20 0.31
BMPR1B O00238 1/20 0.31
ABL1 P00519 1/20 0.31
ADRA2A P08913 1/20 0.31
CNR1 P21554 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVR1B P36896 1/20 0.31

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
SCHEMBL658001 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1CUL4AADRB1HTR2C
Hydrochloric Acid SCHEMBL658607 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1CUL4AADRB1HTR2C
SCHEMBL1723725 0.81 FFAR4 (0.33)
SCHEMBL656772 0.80 AKR1C3 (0.36) ADRB1TGFBR1ACVR1DRD2DRD3
SCHEMBL660132 0.79 DRD2 (0.44) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL658984 0.78 LMNA (0.39)
SCHEMBL658763 0.77 GAA (0.38) HSP90AA1HSP90AB1TGFBR1ACVR1DRD2
SCHEMBL659448 0.76 AKR1C3 (0.38) HTR2CHTR1AHTR2AHTR6
SCHEMBL659117 0.75 ALDH1A1 (0.40) DRD2
SCHEMBL660752 0.74 DRD2 (0.34) TGFBR1ACVR1DRD2HTR1A

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 HSP90AA1 1923/4885HSP90AB1 1639/4885CUL4A 789/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 HSP90AA1 1923/4885HSP90AB1 1639/4885CUL4A 789/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 HSP90AA1 1923/4885HSP90AB1 1639/4885CUL4A 789/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 HSP90AA1 1767/4885HSP90AB1 1595/4885CUL4A 540/4885

“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.