SCHEMBL658001

SCHEMBL658001

Cc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CUL4A Q13619 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CCR4 P51679 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
ADRB1 P08588 2/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
Hydrochloric Acid SCHEMBL658607 0.98 HSP90AA1 (0.43) HSP90AA1HSP90AB1CUL4AALDH1A1LMNA
SCHEMBL657755 0.89 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL659629 0.85 HSP90AA1 (0.35) HSP90AA1HSP90AB1CUL4AHTR2CHTR2A
SCHEMBL661032 0.77 AKR1C3 (0.40) ALDH1A1LMNAADRB1KDM4EPOLB
SCHEMBL657924 0.76 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1LMNAHTR2A
SCHEMBL659624 0.75 LMNA (0.40) ALDH1A1LMNACCR4KDM4EPOLB
SCHEMBL659744 0.75
SCHEMBL656959 0.75 HSP90AA1 (0.33) HSP90AA1HSP90AB1POLB
SCHEMBL658424 0.75 KDM4E (0.43) ALDH1A1KDM4EPOLB
SCHEMBL658166 0.74 MAPT (0.42) ALDH1A1ADRB1

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-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
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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.