SCHEMBL2096374

SCHEMBL2096374

[O]c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.65
▸ DRD2 P14416 1/20 0.56
▸ DRD4 P21917 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ S1PR1 P21453 1/20 0.55
▸ S1PR3 Q99500 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MAOA P21397 3/20 0.54
▸ MAOB P27338 3/20 0.54
▸ IDO1 P14902 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ PLA2G4B P0C869 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ LTA4H P09960 1/20 0.50

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
SCHEMBL2095419 0.94 FFAR1 (0.66) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL2091232 0.93 FFAR1 (0.64) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL2093296 0.93 FFAR1 (0.64) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL2093399 0.90 NPC1 (0.67) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL839323 0.86 DRD2 (0.71) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL7549790 0.82 LTA4H (0.66) FFAR1DRD2DRD4DRD3NPC1
SCHEMBL7283728 0.81 FFAR1 (0.61) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL1837433 0.81 LMNA (0.66) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL12260769 0.81 FFAR1 (0.60) FFAR1DRD2DRD4DRD3S1PR1
SCHEMBL5583836 0.81 RAB9A (0.82) FFAR1DRD2DRD4DRD3NPC1

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 FFAR1 58/4885DRD2 409/4885DRD4 444/4885

“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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