SCHEMBL2091906

SCHEMBL2091906

Oc1ccc(N2CCCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.50
▸ CHRM4 P08173 4/20 0.46
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ CCR6 P51684 2/20 0.41
▸ GAA P10253 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ME2 P23368 2/20 0.41
▸ ME1 P48163 2/20 0.41
▸ ME3 Q16798 2/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNA2D2 Q9NY47 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40

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
SCHEMBL5536931 0.95 KCNA5 (0.53) KCNA5CHRM4MAPTKDM4EALDH1A1
SCHEMBL13279015 0.90 KCNA5 (0.50) KCNA5CHRM4MAPTKDM4EALDH1A1
SCHEMBL29471932 0.90 KCNA5 (0.50) KCNA5CHRM4MAPTKDM4EALDH1A1
SCHEMBL2426703 0.86 KCNA5 (0.50) KCNA5MAPTKDM4EALDH1A1EPHX2
SCHEMBL28161315 0.84 EPHX2 (0.50) KCNA5CHRM4MAPTKDM4EALDH1A1
SCHEMBL13278965 0.84 CHRM4 (0.49) KCNA5CHRM4MAPTKDM4EALDH1A1
SCHEMBL5534516 0.83 ALDH1A1 (0.62) CHRM4MAPTALDH1A1GAALMNA
SCHEMBL15441770 0.81 CHRM4 (0.49) KCNA5CHRM4EPHX2FFAR4
SCHEMBL13281330 0.81 KCNH2 (0.53) KCNA5CHRM4EPHX2FFAR4KCNH2
SCHEMBL13281236 0.81 CHRM4 (0.49) KCNA5CHRM4EPHX2FFAR4

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 3338/4885CHRM4 1284/4885MAPT 4299/4885

“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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