SCHEMBL2095283

SCHEMBL2095283

Cc1cc(C=CC[C]=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.41
NFE2L2 Q16236 2/20 0.40
GABRA1 P14867 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
ALOX5 P09917 1/20 0.34
GPR183 P32249 1/20 0.33
BACE1 P56817 3/20 0.32
DAPK3 O43293 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
VCP P55072 1/20 0.31

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
SCHEMBL2095282 1.00 TUBB1 (0.41) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL2096135 0.84 NFE2L2 (0.47) TUBB1NFE2L2PTGS2PIM1VCP
SCHEMBL2096138 0.84 NFE2L2 (0.47) TUBB1NFE2L2PTGS2PIM1VCP
SCHEMBL2093082 0.81 NFE2L2 (0.43) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL2093085 0.81 NFE2L2 (0.43) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL5536977 0.80 TUBB1 (0.38) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL5536979 0.80 TUBB1 (0.38) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL2095286 0.79 NFE2L2 (0.42) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL2455685 0.77 ALDH1A1 (0.52) TUBB1NFE2L2GABRA1SIGMAR1PTGS2
SCHEMBL2455679 0.77 ALDH1A1 (0.52) TUBB1NFE2L2GABRA1SIGMAR1PTGS2

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 TUBB1 378/4885NFE2L2 418/4885GABRA1 223/4885

“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.