SCHEMBL659855

SCHEMBL659855

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
FFAR4 Q5NUL3 2/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
RAD52 P43351 1/20 0.32
MAP4K1 Q92918 1/20 0.32
POLB P06746 1/20 0.32
SUV39H2 Q9H5I1 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
SCHEMBL659593 0.92 HTR7 (0.37) FFAR4MAPTGAASMN1; SMN2ATM
SCHEMBL660378 0.89 FFAR4 (0.40) FFAR4MEN1KMT2AMAP4K1
SCHEMBL658166 0.87 MAPT (0.42) MAPTGAAMEN1KMT2ARAD52
SCHEMBL659198 0.87 CCR1 (0.42) PIK3CAMAPTLMNA
SCHEMBL660332 0.87 DRD2 (0.39) FFAR4LMNAPOLB
SCHEMBL658811 0.84 MAPT (0.36) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL660130 0.84 GAA (0.33) PIK3CAFFAR4MAPTGAAMEN1
SCHEMBL658597 0.84 DRD2 (0.46) MAPTGAAMEN1KMT2ALMNA
SCHEMBL659567 0.83 MAPT (0.44) MAPTSMN1; SMN2ATMMEN1KMT2A
SCHEMBL659005 0.81 DRD2 (0.43) MAPTGAAMEN1KMT2ALMNA

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 16 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-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-20120232096-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-20120232095-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
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US 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 PIK3CA 3682/4885FFAR4 1079/4885MAPT 3969/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 PIK3CA 3682/4885FFAR4 1079/4885MAPT 3969/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 PIK3CA 3682/4885FFAR4 1079/4885MAPT 3969/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 PIK3CA 3553/4885FFAR4 1415/4885MAPT 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.