SCHEMBL659481

SCHEMBL659481

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3-c3ccc(N(C)C)cc3)C(=O)C(C)(C)O4)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.35
HTR7 P34969 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1C3 P42330 1/20 0.34
LMNA P02545 2/20 0.34
BRAF P15056 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKDC P78527 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
APP P05067 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
SCHEMBL660280 0.84 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL658666 0.84 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL659273 0.83 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL659546 0.81 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL658572 0.79 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL659417 0.79 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL657781 0.79 DCTPP1 (0.45) MAPTALDH1A1GAAHTTHTR7
SCHEMBL1721358 0.79 ALDH1A1 (0.44) MAPTALDH1A1GAAHTTHTR7
SCHEMBL659178 0.79 GAA (0.42) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL657136 0.78 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1GAAHTT

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 MAPT 3969/4885SMN1; SMN2 2846/4885ALDH1A1 618/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAPT 3969/4885SMN1; SMN2 2846/4885ALDH1A1 618/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAPT 3969/4885SMN1; SMN2 2846/4885ALDH1A1 618/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAPT 4353/4885SMN1; SMN2 2862/4885ALDH1A1 1010/4885

“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.