SCHEMBL2093750

SCHEMBL2093750

[CH2]CCCCOc1ccc(-c2ccc(OC(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.46
FFAR1 O14842 3/20 0.46
CYP2C9 P11712 1/20 0.46
SCN5A Q14524 1/20 0.46
KMO O15229 2/20 0.42
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
SCN1A P35498 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PPARG P37231 1/20 0.38
GRIN2B Q13224 2/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL2092813 0.83 KMO (0.40) KMOSCN1ASCN9ASCN2ASCN3A
SCHEMBL2094886 0.79 KMO (0.45) FFAR4FFAR1CYP2C9SCN5AKMO
SCHEMBL1044641 0.76 EPHX2 (0.47) FFAR4FFAR1CYP2C9SCN5APPARD
SCHEMBL16922726 0.76 FFAR4 (0.46) FFAR4FFAR1CYP2C9SCN5AMCHR1
SCHEMBL16922730 0.76 FFAR4 (0.46) FFAR4FFAR1CYP2C9SCN5AMCHR1
SCHEMBL2094887 0.76 GRIN2B (0.46) KMOGRIN2BAKR1C2AKR1C1
SCHEMBL2095758 0.75 KMO (0.47) KMOGRIN2BAKR1C2AKR1C1
SCHEMBL8778595 0.75 EPHX2 (0.46) FFAR4FFAR1CYP2C9SCN5APPARD
SCHEMBL8778597 0.75 EPHX2 (0.46) FFAR4FFAR1CYP2C9SCN5APPARD
SCHEMBL1046561 0.75 EPHX2 (0.46) FFAR4FFAR1CYP2C9SCN5APPARD

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 FFAR4 141/4885FFAR1 58/4885CYP2C9 2206/4885

“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.