SCHEMBL5546769

SCHEMBL5546769

O=COCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
KCNH2 Q12809 7/20 0.50
KCNJ1 P48048 2/20 0.49
IDO1 P14902 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CHRM2 P08172 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL5535046 0.95 TSHR (0.50) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL5542243 0.94 KCNH2 (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL5535033 0.94 KCNH2 (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL88305 0.90 TSHR (0.55) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL378396 0.82 TSHR (0.58) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL1895864 0.81 TSHR (0.51) TSHRSIGMAR1
SCHEMBL67263 0.81 TSHR (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL27783167 0.81 TSHR (0.49) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL18913824 0.80 TSHR (0.69) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL30758863 0.80 TSHR (0.69) TSHRKCNH2KCNJ1IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235022-A1 Quality control method for manufacturing biopolymer arrays ROCHE DIAGNOSTICS GMBH (DE) 2004-11-25 US claimed
EP-1466663-A1 Quality control method for manufacturing nucleic acid arrays F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6852752-B2 Urea compounds, compositions and methods of use and preparation VICURON PHARMACEUTICALS INC. (US) 2005-02-08 US disclosed
US-20040235022-A1 Quality control method for manufacturing biopolymer arrays ROCHE DIAGNOSTICS GMBH (DE) 2004-11-25 US disclosed
EP-1466663-A1 Quality control method for manufacturing nucleic acid arrays F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-29 US disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. 2001-12-20 US disclosed
US-6281245-B1 ADMINISTERING DEFORMYLASE INHIBITOR VERSICOR, INC. 2001-08-28 US disclosed
WO-2001044178-A1 NOVEL UREA COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
WO-1999057097-A2 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1999-11-11 WO disclosed
WO-1998018754-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1998-05-07 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TSHR 319/4885KCNH2 3503/4885KCNJ1 3581/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA TSHR 4589/4885KCNH2 4789/4885KCNJ1 4527/4885
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation PDF, UROD, HDHD5 TSHR 3464/4885KCNH2 4651/4885KCNJ1 4294/4885
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF HNMT, HAAO, HPSE TSHR 1868/4885KCNH2 3937/4885KCNJ1 4482/4885
US-20040235022-A1 Quality control method for manufacturing biopolymer arrays CTRL, PCBP1, PARG TSHR 4430/4885KCNH2 3985/4885KCNJ1 4614/4885

“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.