SCHEMBL58073

SCHEMBL58073

COCn1c(Br)nc([N+](=O)[O-])c1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
HTT P42858 6/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
JAK2 O60674 2/20 0.40
HKDC1 Q2TB90 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.31
S1PR4 O95977 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
RECQL P46063 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
SCHEMBL5189175 0.85 MAPT (0.41) MAPTHTTPOLBSMN1; SMN2NPSR1
SCHEMBL4189866 0.84 MAPT (0.46) MAPTHTTPOLBSMN1; SMN2NPSR1
SCHEMBL5180079 0.78 MAPT (0.36) MAPTHTTPOLBALDH1A1RXFP1
SCHEMBL29118210 0.73 CSNK2A2 (0.42) MAPTHTTPOLBSMN1; SMN2NPSR1
SCHEMBL5188985 0.72 ALDH1A1 (0.40) MAPTHTTPOLBSMN1; SMN2NPSR1
SCHEMBL13071968 0.72 HSD17B10 (0.33) MAPTLMNAALDH1A1RXFP1
SCHEMBL31144987 0.71 MAPT (0.41) MAPTHTTPOLBSMN1; SMN2NPSR1
SCHEMBL3192831 0.69 MAPT (0.61) MAPTHTTPOLBSMN1; SMN2NPSR1
SCHEMBL58070 0.66 ALDH1A1 (0.49) MAPTHTTPOLBNPC1RAB9A
SCHEMBL861476 0.66 MAPT (0.57) MAPTHTTPOLBSMN1; SMN2NPSR1

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 11 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-20090082575-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-03-26 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
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 US 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-20090082575-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE COX4I1, MT-ND4, MT-ND4L MAPT 4528/4885HTT 2742/4885POLB 572/4885
US-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR MAPT 3906/4885HTT 4148/4885POLB 1873/4885
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR MAPT 3673/4885HTT 3956/4885POLB 1904/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR MAPT 3906/4885HTT 4148/4885POLB 1873/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR MAPT 3906/4885HTT 4148/4885POLB 1873/4885

“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.