SCHEMBL2095683

SCHEMBL2095683

Oc1ccc(C2CCCCC2)c(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 6/20 0.48
HTR1A P08908 4/20 0.48
CAMK2A Q9UQM7 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
POLB P06746 1/20 0.42
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
PKM P14618 2/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39

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
SCHEMBL2095680 0.82 PTGDR2 (0.48) SLC6A2SLC6A4SLC6A3HTR1APTGDR2
SCHEMBL11190567 0.81 HTR1A (0.54) SLC6A2SLC6A4SLC6A3HTR1APTGDR2
SCHEMBL7598684 0.80 HTR1A (0.70) SLC6A2SLC6A4SLC6A3HTR1APTGDR2
SCHEMBL6148426 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR1APTGDR2
SCHEMBL2095733 0.74 HTR1A (0.50) SLC6A2SLC6A4SLC6A3HTR1APTGDR2
SCHEMBL17699117 0.73 CHRNB2 (0.55) POLBESR1ESR2
SCHEMBL21633625 0.73 CAMK2A (0.59) CAMK2ALTA4HNR1H2BAX
SCHEMBL30275536 0.72 ALOX5 (0.59) CAMK2ALTA4HNR1H2BAXESR1
SCHEMBL5935862 0.71 ALDH1A1 (0.46) ESR1ESR2
SCHEMBL19892266 0.71 ALDH1A1 (0.46) ESR1ESR2

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 SLC6A2 3591/4885SLC6A4 4365/4885SLC6A3 3737/4885

“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.