SCHEMBL657996

SCHEMBL657996

Cc1c(C)c2c(c(C)c1Br)C[C@@H](C)O2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
MAOB P27338 2/20 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
SCHEMBL659037 1.00 MAOA (0.34) MAOASMN1; SMN2PARP1ALDH1A1KDM4E
SCHEMBL659313 1.00 MAOA (0.34) MAOASMN1; SMN2PARP1ALDH1A1KDM4E
SCHEMBL8310789 0.76 PARP1 (0.39) MAOASMN1; SMN2PARP1ALDH1A1KDM4E
SCHEMBL1722570 0.74 MAOA (0.30) MAOA
SCHEMBL13443178 0.72 CA1 (0.39) MAOASMN1; SMN2PARP1ALDH1A1KDM4E
SCHEMBL8458877 0.72 MAOA (0.48) MAOAPARP1ALDH1A1KDM4EHPGD
SCHEMBL657712 0.69 MAOA (0.45) MAOAPARP1ALDH1A1KDM4EHSD17B10
Oxalic Acid SCHEMBL8312179 0.68 PARP1 (0.43) MAOASMN1; SMN2PARP1ALDH1A1KDM4E
SCHEMBL3605401 0.68 MAOA (0.41) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL15667395 0.66 MAOA (0.46) MAOAPARP1ALDH1A1KDM4EHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN 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-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 MAOA 1322/4885SMN1; SMN2 2846/4885PARP1 2114/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAOA 1322/4885SMN1; SMN2 2846/4885PARP1 2114/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAOA 1322/4885SMN1; SMN2 2846/4885PARP1 2114/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAOA 1794/4885SMN1; SMN2 2862/4885PARP1 1272/4885

“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.