SCHEMBL4189765

SCHEMBL4189765

Br[Ni]Br.CN(C)CCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37

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
SCHEMBL15334 0.82
SCHEMBL10425918 0.82 CA12 (0.73) CA12CA2CA3CA4CA6
SCHEMBL4658729 0.82
SCHEMBL7134013 0.78 CA2 (0.57) CA12CA2CA3CA4CA6
SCHEMBL11751856 0.77
SCHEMBL11807667 0.77
SCHEMBL6128088 0.77
Water SCHEMBL20492244 0.77
Lithium SCHEMBL9070605 0.77 CA12 (0.67) CA12CA2CA3CA4CA6
SCHEMBL8644047 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 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 (1 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-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 CA12 2118/4885CA2 602/4885CA3 517/4885

“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.