SCHEMBL1044030

SCHEMBL1044030

CC1(COc2ccc(N3CCC(COc4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
SLC6A2 P23975 1/20 0.71
SLC6A4 P31645 1/20 0.71
KCNH2 Q12809 6/20 0.64
ENPP2 Q13822 2/20 0.41
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
SLC6A9 P48067 1/20 0.36
CHRM1 P11229 1/20 0.35
MAPT P10636 1/20 0.35
HTR1A P08908 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL1047270 1.00 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL1044032 1.00 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL1755048 0.93 PTGS1 (0.66) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL1754119 0.93 PTGS1 (0.66) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL1754222 0.93 PTGS1 (0.66) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL1043388 0.92 PTGS1 (0.83) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL1043389 0.92 PTGS1 (0.83) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL1045899 0.92 PTGS1 (0.83) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5542362 0.92 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5535614 0.92 KCNH2 (0.73) PTGS1SLC6A2SLC6A4KCNH2ENPP2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
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 disclosed
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 disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
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 disclosed
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 disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
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 disclosed
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 disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 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 (4 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 PTGS1 1542/4885SLC6A2 3945/4885SLC6A4 3929/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PTGS1 1542/4885SLC6A2 3945/4885SLC6A4 3929/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PTGS1 2872/4885SLC6A2 3591/4885SLC6A4 4365/4885
US-20100130508-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE DERIVATIVES CYP3A7, HSD3B1, CYP2D6 PTGS1 2192/4885SLC6A2 1948/4885SLC6A4 1686/4885

“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.