SCHEMBL58324

SCHEMBL58324

N#CCCn1c([N+](=O)[O-])cnc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 7/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL57943 0.77 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL58845 0.76 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL27707708 0.72 LMNA (0.66) MEN1KMT2AALDH1A1MAPK1GAA
SCHEMBL8596029 0.65 MAPT (0.54) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL5659050 0.65 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL5654395 0.65 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL22166004 0.64 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL3328543 0.64 MAPT (0.79) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL4163474 0.64 MAPT (0.79) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL14378076 0.62 MAPT (0.59) MEN1KMT2AMAPTALDH1A1MAPK1

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 MEN1 2625/4885KMT2A 1236/4885MAPT 3906/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR MEN1 3073/4885KMT2A 1292/4885MAPT 3673/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR MEN1 2625/4885KMT2A 1236/4885MAPT 3906/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR MEN1 2625/4885KMT2A 1236/4885MAPT 3906/4885

“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.