SCHEMBL1045900

SCHEMBL1045900

C[C@]1(COc2ccc(N3CCC(Cc4ccc(OC(F)(F)F)cc4)CC3)nc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.69
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
CHRM1 P11229 2/20 0.44
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
CHRM4 P08173 3/20 0.36
MAPT P10636 1/20 0.35
CCR5 P51681 1/20 0.35
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
CHRM2 P08172 1/20 0.33
LCAT P04180 1/20 0.32
TNF P01375 1/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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
SCHEMBL1046541 1.00 KCNH2 (0.69) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1045217 1.00 KCNH2 (0.69) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1044070 0.91 PTGS1 (0.81) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1044069 0.91 PTGS1 (0.81) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1045088 0.91 PTGS1 (0.81) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1078166 0.90 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1043325 0.90 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL1043326 0.90 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL2090748 0.90 PTGS1 (0.82) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL2090745 0.90 PTGS1 (0.82) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP 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 (3 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 KCNH2 1941/4885PTGS1 1542/4885SLC6A2 3945/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KCNH2 1941/4885PTGS1 1542/4885SLC6A2 3945/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 KCNH2 3121/4885PTGS1 2872/4885SLC6A2 3591/4885

“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.