SCHEMBL58449

SCHEMBL58449

O=[N+]([O-])c1c[nH]c(Sc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
KDM4A O75164 1/20 0.40
TDP2 O95551 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
DYRK1A Q13627 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL57252 0.78 ALDH1A1 (0.48) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL31272173 0.75 PDE7A (0.78) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL875772 0.75 PDE7A (0.78) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL57924 0.75 PDE7A (0.50) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL59107 0.73 MAPT (0.47) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL10841901 0.72 PDE7A (0.50) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL90862 0.71 KDM4E (0.34) MAPTKDM4E
SCHEMBL28712156 0.69 PDE7A (0.54) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1713219 0.69 PDE7A (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL30338244 0.69 PDE7A (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3

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 12 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
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-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
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 (4 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 PDE7A 1570/4885SMN1; SMN2 3947/4885SLC6A2 2661/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR PDE7A 2152/4885SMN1; SMN2 4014/4885SLC6A2 2755/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR PDE7A 1570/4885SMN1; SMN2 3947/4885SLC6A2 2661/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR PDE7A 1570/4885SMN1; SMN2 3947/4885SLC6A2 2661/4885

“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.