SCHEMBL2095327

SCHEMBL2095327

[CH2]CCCC1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ MBTD1 Q05BQ5 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ ACHE P22303 3/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ DPP4 P27487 2/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ NOTUM Q6P988 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
SCHEMBL15037944 0.83 DPP4 (0.60) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL3389633 0.83 CYP2D6 (0.56) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL6030777 0.82 MBTD1 (0.52) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL19820168 0.81 DPP4 (0.55) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL12041166 0.80 DPP4 (0.54) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL12041041 0.80 DPP4 (0.54) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL16202806 0.79 MAPT (0.48) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL6794719 0.79 FFAR4 (0.51) DRD2DRD3CHRM4CHRM2NOTUM
SCHEMBL4705716 0.79 MBTD1 (0.49) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1
SCHEMBL18155147 0.79 MBTD1 (0.49) SLC6A2SLC6A4MBTD1L3MBTL3L3MBTL1

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN 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 SLC6A2 3591/4885SLC6A4 4365/4885MBTD1 830/4885

“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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