SCHEMBL2094423

SCHEMBL2094423

CCCOc1ccc([N]CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
LTA4H P09960 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP19A1 P11511 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
PLK1 P53350 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 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
SCHEMBL28964336 0.83 CYP2C9 (0.58) CYP2C9LTA4HMEN1KMT2ACA12
SCHEMBL28964335 0.83 CYP2C9 (0.58) CYP2C9LTA4HMEN1KMT2ACA12
1,4-Dipropoxybenzene SCHEMBL122039 0.82 LTA4H (0.67) CYP2C9LTA4HMEN1KMT2ACA12
SCHEMBL13808346 0.79 LTA4H (0.64) CYP2C9LTA4HMEN1KMT2ACA12
SCHEMBL21699869 0.79 CYP2C9 (0.54) CYP2C9LTA4HMEN1KMT2ACA12
SCHEMBL2094118 0.78 CYP2C9 (0.53) CYP2C9LTA4HCA12CA1CA2
SCHEMBL21242469 0.78 CYP2C9 (0.53) CYP2C9LTA4HMEN1KMT2ACA12
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.77 LTA4H (0.64) LTA4HMEN1KMT2ACA12CA1
1,4-Dipropoxybenzene SCHEMBL10846150 0.77 LTA4H (0.64) LTA4HMEN1KMT2ACA12CA1
SCHEMBL10798631 0.77 LTA4H (0.61) LTA4HMEN1KMT2ACA12CA1

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 5 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 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP2C9 2206/4885LTA4H 3093/4885MEN1 4525/4885

“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.