SCHEMBL4299859

SCHEMBL4299859

O=[N+]([O-])c1nc(Br)[nH]c1I

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.33
GALR3 O60755 1/20 0.31
TYMS P04818 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
SCHEMBL58940 0.78 MAPT (0.38) MAPTKMT2AGALR3
SCHEMBL11405724 0.77 KMT2A (0.38) MAPTKMT2AGALR3
SCHEMBL58879 0.75 GALR3 (0.38) KMT2AGALR3
SCHEMBL13909523 0.75 MAPT (0.36) MAPTKMT2AGALR3
SCHEMBL13519754 0.71 KMT2A (0.31) KMT2A
SCHEMBL15282119 0.69 GALR3 (0.34) KMT2AGALR3
SCHEMBL5180050 0.67 MAPT (0.35) MAPTKMT2A
SCHEMBL3108876 0.65 MAPT (0.31) MAPT
SCHEMBL5179878 0.65 MAPT (0.33) MAPTKMT2A
SCHEMBL3676705 0.64 MAPT (0.38) MAPTKMT2AGALR3

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
CN-100526300-C Method of manufacturing 4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2009-08-12 CN disclosed
US-7569702-B2 Method for producing 4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070161802-A1 Method for producing 4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-07-12 US disclosed
EP-1720838-B1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2007-07-04 EP disclosed
CN-1922154-A Method for producing 4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2007-02-28 CN disclosed
EP-1720838-A1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-15 EP disclosed
WO-2005077913-A1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-25 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-20070161802-A1 Method for producing 4-nitroimidazole compound COX4I1, GTF3C5, CYP4X1 MAPT 4488/4885KMT2A 1832/4885GALR3 3470/4885

“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.