SCHEMBL3043855

SCHEMBL3043855

O=[N+]([O-])c1ccc(Cl)cc1-c1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
HSPD1 P10809 2/20 0.52
PTPN2 P17706 2/20 0.52
PTPN1 P18031 2/20 0.52
PTPN5 P54829 2/20 0.52
HSPE1 P61604 2/20 0.52
MEN1 O00255 2/20 0.49
F2 P00734 1/20 0.49
C1R P00736 1/20 0.49
NPC1 O15118 5/20 0.48

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
SCHEMBL3038438 0.84 MMP2 (0.52) MAPTKMT2ALMNATDP1MAPK1
SCHEMBL3043863 0.84 NPC1 (0.61) MAPTKMT2ALMNATDP1MAPK1
SCHEMBL2252128 0.83 MAPT (0.68) MAPTKMT2ALMNATDP1L3MBTL1
SCHEMBL2402899 0.80 MAPT (0.43) MAPTKMT2ALMNATDP1MAPK1
SCHEMBL2133422 0.79 AGPAT2 (0.61) MAPTTDP1NPC1RAB9AALDH1A1
SCHEMBL2688576 0.79 HSPD1 (0.49) MAPTKMT2ALMNATDP1MAPK1
SCHEMBL3050578 0.77 MMP2 (0.64) MAPTKMT2ALMNATDP1HTT
SCHEMBL3053830 0.77 NPC1 (0.55) MAPTKMT2ALMNATDP1MAPK1
SCHEMBL2690401 0.76 MMP2 (0.63) MAPTKMT2ALMNATDP1L3MBTL1
SCHEMBL13522796 0.76 KDM6B (0.73) MAPTTDP1HTTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479282-B1 Media including nitroreductase enzymatic substrates BIOMERIEUX SA (FR) 2018-03-28 EP disclosed
EP-2155893-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2016-10-19 EP disclosed
EP-2479282-A1 Media including nitroreductase enzymatic substrates bioMérieux (FR) 2012-07-25 EP disclosed
US-8211662-B2 Nitroreductase enzymatic substrates BIOMERIEUX (FR) 2012-07-03 US disclosed
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-09-02 US disclosed
EP-2155893-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-02-24 EP disclosed
WO-2008152305-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2008-12-18 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 (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-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES CBR1, CBR3, XDH MAPT 4865/4885KMT2A 2837/4885LMNA 4014/4885

“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.