SCHEMBL58849

SCHEMBL58849

C[C@]1(COS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.60
WDR77 Q9BQA1 1/20 0.60
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CA2 P00918 2/20 0.49
CA5A P35218 1/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
CA1 P00915 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
F2 P00734 2/20 0.44

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
SCHEMBL1949110 1.00 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL3153471 1.00 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5106601 0.87 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5106600 0.87 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL4790619 0.86 PRMT5 (0.56) PRMT5WDR77KMT2AGAAHTT
SCHEMBL58248 0.85 ALDH1A1 (0.43) PRMT5WDR77KMT2ACA2CA5A
SCHEMBL59929 0.85 ALDH1A1 (0.43) PRMT5WDR77KMT2ACA2CA5A
SCHEMBL12433575 0.85 ALDH1A1 (0.43) PRMT5WDR77KMT2ACA2CA5A
SCHEMBL13969656 0.80 PRMT5 (0.64) PRMT5WDR77KMT2AGAAHTT
SCHEMBL6114507 0.80 PRMT5 (0.68) PRMT5WDR77KMT2AGAAHTT

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 52 patents — showing the first 20. 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-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 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-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1922074-B1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA. ASTRAZENECA AB (SE) 2010-02-17 EP disclosed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 US disclosed
EP-1587812-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2005-10-26 EP disclosed
CN-1675218-A Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-09-28 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
CN-1633414-A Compound (I) ASTRAZENECA AB (SE) 2005-06-29 CN disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2004065394-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2004-08-05 WO disclosed
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 PRMT5 92/4885WDR77 404/4885KMT2A 2114/4885
US-20120130082-A1 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same CBR1, CBR3, DCXR PRMT5 342/4885WDR77 2294/4885KMT2A 1236/4885
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ADRB2, ADRB1, CHRM2 PRMT5 487/4885WDR77 1490/4885KMT2A 1152/4885
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma CCR1, CCR5, CCR3 PRMT5 986/4885WDR77 595/4885KMT2A 1931/4885
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 PRMT5 686/4885WDR77 449/4885KMT2A 2792/4885

“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.