SCHEMBL2095933

SCHEMBL2095933

[CH2]Oc1ccccc1C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
ADRA2A P08913 4/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
HTR2C P28335 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 5/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
ADRA1A P35348 2/20 0.41
USP2 O75604 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL2399633 0.83 PTGDR2 (0.57) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL5159996 0.80 PTGDR2 (0.58) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL42935 0.80 PTGDR2 (0.58) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL4736528 0.80 HTR2C (0.68) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL30938438 0.80 HTR2C (0.68) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL2352902 0.80 PTGDR2 (0.58) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL6695552 0.80 HTR2C (0.68) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL1428861 0.80 HTR2C (0.68) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL10632447 0.79 PTGDR2 (0.62) PTGDR2HTR1DHTR1BADRA2AADRA2B
SCHEMBL2586792 0.79 PTGDR2 (0.50) PTGDR2HTR1DHTR1BADRA2AADRA2B

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 PTGDR2 356/4885HTR1D 2640/4885HTR1B 2283/4885

“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.