SCHEMBL2095680

SCHEMBL2095680

[O]c1ccc(C2CCCCC2)c(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.48
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 8/20 0.48
HTR1A P08908 6/20 0.48
PKM P14618 1/20 0.39
PTGDR Q13258 3/20 0.38
PTGER2 P43116 1/20 0.38
TRPC6 Q9Y210 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL2095683 0.82 SLC6A2 (0.48) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7598684 0.80 HTR1A (0.70) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2095730 0.74 HTR1A (0.50) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL34461993 0.71 PTGDR2 (0.56) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2399633 0.69 PTGDR2 (0.57) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL11190567 0.69 HTR1A (0.54) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL555108 0.69 HTR1A (0.54) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL11169464 0.69 SLC6A2 (0.54) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL11177403 0.69 SLC6A2 (0.58) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2095733 0.68 HTR1A (0.50) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A

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 356/4885SLC6A2 3591/4885SLC6A4 4365/4885

“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.