SCHEMBL2091331

SCHEMBL2091331

FC(F)(F)Oc1ccc(N2CCC[N]CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNA2D2 Q9NY47 1/20 0.43
▸ CHRM4 P08173 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CCR6 P51684 2/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ NISCH Q9Y2I1 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2097270 0.94 KCNA5 (0.47) KCNA5CACNA2D1CACNA2D2CHRM4KCNH2
SCHEMBL29471932 0.85 KCNA5 (0.50) KCNA5CACNA2D1CACNA2D2CHRM4KCNH2
SCHEMBL2426703 0.85 KCNA5 (0.50) KCNA5CACNA2D1CACNA2D2KCNH2CCR6
SCHEMBL7190990 0.79 KCNA5 (0.36) KCNA5CHRM4KCNH2MAP4K1NISCH
SCHEMBL29378247 0.79 KCNA5 (0.46) KCNA5CACNA2D1CACNA2D2CHRM4KCNH2
SCHEMBL2093519 0.79 HTR3E (0.54) POLBL3MBTL1LMNAMAPK1SMN1; SMN2
SCHEMBL2092501 0.79 CA12 (0.46) LMNAMAPK1HTTSMN1; SMN2
SCHEMBL2098644 0.76 MAPT (0.51) POLBLMNAMAPK1HTTSMN1; SMN2
SCHEMBL2091906 0.76 KCNA5 (0.50) KCNA5CACNA2D1CACNA2D2CHRM4KCNH2
SCHEMBL2300499 0.76 DHFR (0.55) CHRM4KCNH2CCR6FFAR4

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 KCNA5 3338/4885CACNA2D1 2963/4885CACNA2D2 2195/4885

“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.

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