SCHEMBL658115

SCHEMBL658115

COc1ccc(N(CCBr)CCBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GSK3B P49841 1/20 0.41
SLC2A1 P11166 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
AOC3 Q16853 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ESR2 Q92731 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40

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
SCHEMBL3945201 0.81 CA12 (0.48) CA1CA2CA7CA9CA12
SCHEMBL659196 0.79 CA12 (0.46) CA1CA2CA7CA9CA12
SCHEMBL107407 0.79 PRUNE1 (0.47) CA1CA2CA7CA9CA12
SCHEMBL1573445 0.78 CNR2 (0.47) CA1CA2CA7CA9CA12
SCHEMBL24359339 0.76 CNR2 (0.52) CA1CA2CA7CA9CA12
SCHEMBL1263095 0.76 ALDH1A1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL6098427 0.76 CYP2C19 (0.47) GSK3BMAPTMAPK1ALDH1A1GFER
SCHEMBL14818209 0.74 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL31704271 0.73 APLNR (0.50) CA1CA2CA7CA9CA12
SCHEMBL14608249 0.73 ALDH1A1 (0.50) CA1CA2CA7CA9CA12

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 12 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-8865914-B2 Fluorescent probes for detection of copper THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-21 US disclosed
US-8865914-B2 Fluorescent probes for detection of copper THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-21 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-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-02-20 US disclosed
US-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-02-20 US 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
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 (5 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 CA1 4837/4885CA2 4007/4885CA7 4562/4885
US-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER NCS1, CHERP, RYR1 CA1 1803/4885CA2 761/4885CA7 2078/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 CA1 4837/4885CA2 4007/4885CA7 4562/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 CA1 4837/4885CA2 4007/4885CA7 4562/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 CA1 4655/4885CA2 3171/4885CA7 3181/4885

“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.