SCHEMBL2094053

SCHEMBL2094053

COc1ccc(C2CCCC2)cc1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.54
PDE4B Q07343 8/20 0.54
PDE4C Q08493 7/20 0.54
PDE4D Q08499 7/20 0.54
HTR2A P28223 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
QDPR P09417 1/20 0.44
NR3C1 P04150 1/20 0.43
CYP3A4 P08684 2/20 0.43
VEGFA P15692 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9325871 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDGFRB
SCHEMBL11164868 0.81 PTGDR2 (0.57) HTR2APTGDR2CYP3A4ALDH1A1KDM4E
SCHEMBL2094051 0.81 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL172801 0.81 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL5090021 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL9188312 0.81 NR3C1 (0.60) PDE4APDE4BPDE4CPDE4DQDPR
SCHEMBL7295056 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7293731 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL10534970 0.80 PTGDR2 (0.60) HTR2APTGDR2CYP3A4ALDH1A1KDM4E
SCHEMBL7723660 0.80 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DHTR2A

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 PDE4A 3611/4885PDE4B 2685/4885PDE4C 3847/4885

“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.