SCHEMBL2090893

SCHEMBL2090893

[O]CCCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.50
PPARA Q07869 1/20 0.49
LTA4H P09960 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOB P27338 5/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL2090090 0.92 NOS1 (0.52) NOS1PPARALTA4HALDH1A1MAOB
SCHEMBL2088708 0.92 NOS1 (0.52) NOS1PPARALTA4HALDH1A1MAOB
SCHEMBL2096088 0.90 LTA4H (0.50) NOS1PPARALTA4HALDH1A1MAOB
SCHEMBL28582854 0.84 NOS1 (0.50) NOS1PPARALTA4HALDH1A1MAOB
SCHEMBL7252172 0.82 NOS1 (0.51) NOS1PPARALTA4HALDH1A1MAOB
SCHEMBL12409185 0.82 CHRNB2 (0.54) NOS1PPARALTA4HMAOBCHRNB2
SCHEMBL2099227 0.81 ALDH1A1 (0.53) LTA4HALDH1A1MAOB
SCHEMBL2093065 0.80 EPHX2 (0.45) PPARAMAOB
SCHEMBL5317430 0.80 NOS1 (0.50) NOS1PPARALTA4HALDH1A1MAOB
SCHEMBL1046760 0.80 NOS1 (0.50) NOS1PPARALTA4HALDH1A1MAOB

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 3 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

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 NOS1 882/4885PPARA 337/4885LTA4H 3093/4885

“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.