SCHEMBL2093014

SCHEMBL2093014

[O]c1ccc2nc(Oc3c(F)c(F)c(F)c(F)c3F)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE7A Q13946 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL2093017 0.81 ESR2 (0.44) BACE1PDE1APDE1BPDE4BPDE7A
SCHEMBL11110166 0.73 L3MBTL1 (0.45) BACE1PDE1APDE1BPDE4BPDE7A
SCHEMBL2090268 0.73 SCN9A (0.42) PDE1APDE1BPDE4BPDE7ASCN9A
SCHEMBL2092806 0.72 PDE4B (0.36) PDE1APDE1BPDE4BPDE7ASCN9A
SCHEMBL2097579 0.72 PDE4B (0.33) PDE1APDE1BPDE4BPDE7ASCN9A
SCHEMBL2094766 0.69 ALDH1A1 (0.41)
SCHEMBL11108750 0.67 BACE1 (0.45) BACE1PDE1APDE1BPDE4BPDE7A
SCHEMBL11106333 0.67 HTT (0.45) PDE4B
SCHEMBL5544066 0.64 CYP1A2 (0.63) BACE1
SCHEMBL3665193 0.62 ESR2 (0.53)

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 BACE1 3500/4885PDE1A 3211/4885PDE1B 2272/4885

“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.