SCHEMBL1046316

SCHEMBL1046316

O=[N+]([O-])c1cn2c(n1)OCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 5/20 0.40
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SOS1 Q07889 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL3469461 0.90 CHRM1 (0.39) CHRM1KCNH2ALDH1A1POLBKMT2A
SCHEMBL14965372 0.88 KCNH2 (0.38) CHRM1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL14965567 0.85 CHRM1 (0.36) CHRM1KCNH2ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL14965816 0.84 CHRM1 (0.36) CHRM1KCNH2ALDH1A1LMNAMAPT
SCHEMBL14965846 0.83 HTT (0.39) CHRM1KCNH2ALDH1A1POLBKMT2A
SCHEMBL14966101 0.81 CHRM1 (0.35) CHRM1KCNH2ALDH1A1POLBCACNA1C
SCHEMBL14965582 0.81 HSD17B10 (0.38) CHRM1KCNH2ALDH1A1POLBKMT2A
SCHEMBL14965717 0.81 CHRM1 (0.35) CHRM1KCNH2ALDH1A1LMNAMAPT
SCHEMBL14965869 0.80 ALDH1A1 (0.41) CHRM1KCNH2ALDH1A1POLBKMT2A
SCHEMBL14965938 0.79 CHRM1 (0.34) CHRM1KCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874341-B Process for preparing derivatives of 1, 1-dialkylethane-1, 2-diols useful as intermediates 科学与工业研究委员会 2024-05-31 CN claimed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US claimed
US-7943623-B2 Pharmaceutical composition comprising 2,3-dihydro-6-nitroimidazo [2,1-B] oxazole derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-05-17 US claimed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP claimed
EP-1906926-B1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-B]OXAZOLE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2010-12-01 EP claimed
US-20100130508-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US claimed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US claimed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP claimed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US claimed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
CN-113874341-B Process for preparing derivatives of 1, 1-dialkylethane-1, 2-diols useful as intermediates 科学与工业研究委员会 2024-05-31 CN disclosed
CN-113874341-B Process for preparing derivatives of 1, 1-dialkylethane-1, 2-diols useful as intermediates 科学与工业研究委员会 2024-05-31 CN disclosed
JP-2004149527-A 2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLE COMPOUND OTSUKA PHARMACEUT CO LTD 2004-05-27 JP disclosed
WO-2004033463-A1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRM1 33/4885KCNH2 1941/4885ALDH1A1 704/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CHRM1 463/4885KCNH2 3503/4885ALDH1A1 355/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRM1 33/4885KCNH2 1941/4885ALDH1A1 704/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CHRM1 575/4885KCNH2 3121/4885ALDH1A1 412/4885
US-20100130508-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE DERIVATIVES CYP3A7, HSD3B1, CYP2D6 CHRM1 61/4885KCNH2 2118/4885ALDH1A1 377/4885

“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.