SCHEMBL2092970

SCHEMBL2092970

[O]c1ccnc2cccc(N3CCC(Nc4c(F)cc(F)cc4F)CC3)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 6/20 0.37
MAP3K5 Q99683 1/20 0.35
MTOR P42345 2/20 0.33
RPTOR Q8N122 2/20 0.33
MLST8 Q9BVC4 2/20 0.33
PDE4B Q07343 1/20 0.32
HTR6 P50406 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
GPR6 P46095 1/20 0.32
OPRM1 P35372 1/20 0.32
MAPK14 Q16539 1/20 0.31
HTR1A P08908 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
SCHEMBL2091469 0.84 GAA (0.43) EHMT2MTORRPTORMLST8CA12
SCHEMBL27666127 0.81 HTR1A (0.46) EHMT2PDE4BHTR1A
SCHEMBL2094263 0.77 RAB9A (0.38) MTORRPTORMLST8
SCHEMBL2090554 0.77 AKT1 (0.38) HTR1A
SCHEMBL2091187 0.75 SCD (0.38)
SCHEMBL2095474 0.72 RAB9A (0.38)
SCHEMBL2094117 0.68 SCN9A (0.43) PDE4BGPR6
SCHEMBL2094363 0.67 CHRM4 (0.39) GPR6MAPK14
SCHEMBL2096443 0.67 CA12 (0.40) CA12CA1CA2CA9OPRM1
SCHEMBL2089313 0.67 CHRM4 (0.44)

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 EHMT2 2061/4885MAP3K5 3666/4885MTOR 3245/4885

“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.