SCHEMBL2097331

SCHEMBL2097331

[O]Cc1nnnn1CCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 5/20 0.48
DAGLA Q9Y4D2 2/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD11B1 P28845 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL96779 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL97020 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96027 0.95 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL2090533 0.89 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3015966 0.85 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96780 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL94949 0.84 DAGLA (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL97021 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3032215 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL94528 0.81 DAGLA (0.51) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1

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.