SCHEMBL58879

SCHEMBL58879

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPBWR1 P48145 1/20 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
SCHEMBL15282119 0.93 GALR3 (0.34) GALR3KMT2ANPBWR1
SCHEMBL15282070 0.85 GALR3 (0.33) GALR3KMT2AKDM4E
SCHEMBL15282182 0.84 GALR3 (0.33) GALR3
SCHEMBL4303387 0.78 GALR3 (0.40) GALR3KMT2AKDM4E
SCHEMBL11405724 0.77 KMT2A (0.38) GALR3KMT2AKDM4E
SCHEMBL4299859 0.75 MAPT (0.36) GALR3KMT2A
SCHEMBL13519754 0.71 KMT2A (0.31) KMT2A
SCHEMBL3095819 0.65 ALDH1A1 (0.33) GALR3NPBWR1
SCHEMBL1257988 0.65 GALR3 (0.31) GALR3
SCHEMBL3641126 0.64 GALR3 (0.39) GALR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644599-B1 Method for preparing a 2-halo-4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2014-12-10 EP disclosed
EP-2644599-A1 Method for preparing 1-substituted-4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-02 EP disclosed
US-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same OTSUKA PHARMACEUTICAL CO., LTD. 2012-05-24 US disclosed
US-8129544-B2 Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-7807843-B2 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
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-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. 2008-08-21 US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 US disclosed
CN-1326840-C 1-substituted-4-nitroimidazole compounds and process for preparing same OTSUKA PHARMA CO LTD (JP) 2007-07-18 CN 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
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 US disclosed
CN-1692103-A 1-substituted-4-nitroimidazole compounds and process for preparing same OTSUKA PHARMA CO LTD (JP) 2005-11-02 CN disclosed
WO-2005077913-A1 METHOD FOR PRODUCING 4-NITROIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-08-25 WO disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 EP 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-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR GALR3 3023/4885KMT2A 1236/4885KDM4E 1213/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR GALR3 3397/4885KMT2A 1292/4885KDM4E 1016/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR GALR3 3023/4885KMT2A 1236/4885KDM4E 1213/4885
US-20070161802-A1 Method for producing 4-nitroimidazole compound COX4I1, GTF3C5, CYP4X1 GALR3 3470/4885KMT2A 1832/4885KDM4E 1752/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR GALR3 3023/4885KMT2A 1236/4885KDM4E 1213/4885

“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.