SCHEMBL2094886

SCHEMBL2094886

[CH2]Oc1ccc(-c2ccc(OC(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
GRIN2B Q13224 5/20 0.42
SLC1A5 Q15758 2/20 0.38
SCN9A Q15858 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ACLY P53396 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN3A Q9NY46 1/20 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
SCHEMBL2094887 0.84 GRIN2B (0.46) KMOAKR1C2AKR1C1GRIN2B
SCHEMBL2095758 0.83 KMO (0.47) KMOAKR1C2AKR1C1GRIN2BSLC1A5
SCHEMBL29699525 0.81 KMO (0.51) KMOAKR1C2AKR1C1GRIN2BSLC1A5
SCHEMBL28088333 0.81 KMO (0.48) KMOAKR1C2AKR1C1GRIN2BSLC1A5
SCHEMBL22815559 0.80 KMO (0.50) KMOAKR1C2AKR1C1GRIN2BSLC1A5
SCHEMBL22815715 0.80 KMO (0.47) KMOAKR1C2AKR1C1GRIN2BSLC1A5
SCHEMBL14741867 0.79 KMO (0.51) KMOGRIN2BSLC1A5GRM2
SCHEMBL2093750 0.79 FFAR4 (0.46) KMOAKR1C2AKR1C1GRIN2BSCN9A
SCHEMBL10825618 0.77 MRGPRX4 (0.48) KMOSLC1A5SCN9APPARDPPARA
SCHEMBL2091481 0.77 KIF11 (0.49) AKR1C2AKR1C1SCN5A

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 KMO 3391/4885AKR1C2 242/4885AKR1C1 226/4885

“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.