SCHEMBL58940

SCHEMBL58940

O=[N+]([O-])c1nc(Br)[nH]c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GALR3 O60755 1/20 0.36
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 3/20 0.31
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NOS1 P29475 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3676705 0.80 MAPT (0.38) MAPTGALR3KMT2AALDH1A1MEN1
SCHEMBL4299859 0.78 MAPT (0.36) MAPTGALR3KMT2A
SCHEMBL13909523 0.78 MAPT (0.36) MAPTGALR3KMT2AALDH1A1MEN1
SCHEMBL5180050 0.70 MAPT (0.35) MAPTKMT2AALDH1A1MEN1
SCHEMBL8434384 0.69 KDM4E (0.40) MAPTALDH1A1KDM4ECYP3A4MAPK1
SCHEMBL11860849 0.69 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL3108876 0.68 MAPT (0.31) MAPTALDH1A1
SCHEMBL2929885 0.68 MAPT (0.41) MAPTGALR3KMT2AALDH1A1GLA
SCHEMBL5179878 0.68 MAPT (0.33) MAPTKMT2AALDH1A1
SCHEMBL29105506 0.65 MAPT (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C19

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717197-B Preparation method and application of antituberculosis drug Pretomoid 沈阳红旗制药有限公司 2023-09-12 CN claimed
CN-113717197-A Preparation method and application of antituberculosis drug Pretomanid 沈阳红旗制药有限公司 2021-11-30 CN claimed
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
CN-113717197-B Preparation method and application of antituberculosis drug Pretomoid 沈阳红旗制药有限公司 2023-09-12 CN disclosed
CN-113717197-B Preparation method and application of antituberculosis drug Pretomoid 沈阳红旗制药有限公司 2023-09-12 CN disclosed
CN-113717197-A Preparation method and application of antituberculosis drug Pretomanid 沈阳红旗制药有限公司 2021-11-30 CN disclosed
CN-113717197-A Preparation method and application of antituberculosis drug Pretomanid 沈阳红旗制药有限公司 2021-11-30 CN disclosed
CN-105439957-B A kind of method of the bromo- 4- nitroimidazoles of synthesis 2- 浙江省诸暨合力化学对外贸易有限公司 2018-05-08 CN disclosed
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
WO-2006035960-A2 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO 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
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed
EP-0604409-A4 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION. ISIS PHARMACEUTICALS INC (US) 1996-06-12 EP disclosed
EP-0604409-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1994-07-06 EP disclosed
WO-1991010671-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1991-07-25 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-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR MAPT 3906/4885GALR3 3023/4885MMP2 3936/4885

“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.