SCHEMBL1044736

SCHEMBL1044736

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
KCNH2 Q12809 6/20 0.60
ENPP2 Q13822 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
MAPT P10636 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL1079472 1.00 PTGS1 (0.67) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL1044734 1.00 PTGS1 (0.67) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL2097423 0.92 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2SIGMAR1
SCHEMBL2096517 0.92 SLC6A2 (0.65) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL2096522 0.92 SLC6A2 (0.65) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL2097427 0.92 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2SIGMAR1
SCHEMBL5547591 0.92 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5546516 0.92 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL5542718 0.92 KCNH2 (0.68) PTGS1SLC6A2SLC6A4KCNH2ENPP2
SCHEMBL2095617 0.91 PTGS1 (0.65) PTGS1SLC6A2SLC6A4KCNH2SIGMAR1

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 14 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
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.