SCHEMBL1027159

SCHEMBL1027159

Cc1cc(Br)cc(C)c1N=Cc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GAA P10253 2/20 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
SCHEMBL14011719 0.90 MAPT (0.58) MAPTPKMPOLBFNTAFNTB
SCHEMBL17395860 0.90 MAPT (0.58) MAPTPKMPOLBFNTAFNTB
SCHEMBL17395856 0.83 LMNA (0.43) MAPTPKMPOLBFNTAFNTB
SCHEMBL17395857 0.83 LMNA (0.43) MAPTPKMPOLBFNTAFNTB
SCHEMBL11191621 0.79 MAPT (0.60) MAPTPKMPOLBFNTAFNTB
SCHEMBL14011741 0.79 MAPT (0.60) MAPTPKMPOLBFNTAFNTB
SCHEMBL11191620 0.79 MAPT (0.60) MAPTPKMPOLBFNTAFNTB
SCHEMBL469487 0.77 FNTA (0.63) MAPTPOLBFNTAFNTBNPC1
SCHEMBL16305385 0.76 MAPT (0.60) MAPTPKMPOLBFNTAFNTB
SCHEMBL17395877 0.76 MAPT (0.60) MAPTPKMPOLBFNTAFNTB

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
US-20150080581-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS RIMTEC CORPORATION (JP) 2015-03-19 US disclosed
US-8927670-B2 Multicoordinated metal complexes for use in metathesis reactions RIMTEC CORPORATION (JP) 2015-01-06 US disclosed
EP-1577282-B1 Metal complexes for use in olefin metathesis and atom or group transfer reactions TELENE SAS (FR) 2011-06-15 EP disclosed
EP-1757613-B1 Multicoordinated metal complexes for use in metathesis reactions TELENE SAS (FR) 2011-01-19 EP disclosed
US-20080293905-A9 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS RIMTEC CORPORATION (JP) 2008-11-27 US disclosed
US-20070185343-A1 Metal complexes for use in olefin metathesis and atom group transfer reactions UNIVERSITEIT GENT (BE) 2007-08-09 US disclosed
EP-1757613-A1 Multicoordinated metal complexes for use in metathesis reactions Viacatt N.V. (BE) 2007-02-28 EP disclosed
US-20070043188-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS TELENE S.A.S. (FR) 2007-02-22 US disclosed
EP-1577282-A2 Metal complexes for use in olefin methathesis and atom or group transfer reactions Universiteit Gent (BE) 2005-09-21 EP disclosed
WO-2005082819-A2 METAL COMPLEXES FOR USE IN OLEFIN METATHESIS AND ATOM GROUP TRANSFER REACTIONS UNIVERSITEIT GENT (BE) 2005-09-09 WO disclosed
WO-2005035121-A2 SCHIFF BASE METAL COMPLEXES FOR USE AS CATALYSTS IN ORGANIC SYNTHESIS UNIVERSITEIT GENT (BE) 2005-04-21 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 (2 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-20070185343-A1 Metal complexes for use in olefin metathesis and atom group transfer reactions ME1, ME3, COASY MAPT 1975/4885PKM 2136/4885POLB 511/4885
US-20150080581-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS APEX1, SOD1, AP1M1 MAPT 3390/4885PKM 2762/4885POLB 407/4885

“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.