SCHEMBL2095758

SCHEMBL2095758

[CH2]c1ccc(-c2ccc(OC(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
GRIN2B Q13224 5/20 0.44
GRM2 Q14416 2/20 0.40
SLC1A5 Q15758 2/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ACLY P53396 1/20 0.38
NOTUM Q6P988 1/20 0.37
CSF1R P07333 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
SCHEMBL3165747 0.85 SLC1A5 (0.43) KMOGRIN2BSLC1A5GRIA1CACNG8
SCHEMBL29699525 0.84 KMO (0.51) KMOGRIN2BSLC1A5GRIA1CACNG8
SCHEMBL28088333 0.84 KMO (0.48) KMOGRIN2BGRM2SLC1A5GRIA1
SCHEMBL2094886 0.83 KMO (0.45) KMOGRIN2BGRM2SLC1A5AKR1C2
SCHEMBL22815559 0.83 KMO (0.50) KMOGRIN2BSLC1A5AKR1C2AKR1C1
SCHEMBL22815715 0.83 KMO (0.47) KMOGRIN2BSLC1A5AKR1C2AKR1C1
SCHEMBL14741867 0.81 KMO (0.51) KMOGRIN2BGRM2SLC1A5CSF1R
SCHEMBL2091984 0.80 SCN3A (0.48) KMOSLC1A5
SCHEMBL2094887 0.80 GRIN2B (0.46) KMOGRIN2BAKR1C2AKR1C1
SCHEMBL18666773 0.79 KMO (0.44) KMOGRIN2BSLC1A5AKR1C2AKR1C1

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 3391/4885GRIN2B 269/4885GRM2 146/4885

“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.