SCHEMBL2094450

SCHEMBL2094450

COc1cccc(OC2CC[N]CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 2/20 0.41
ACHE P22303 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL13798741 0.87 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL12303123 0.84 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL12093641 0.84 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL3121897 0.83 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1EPHX2
SCHEMBL2302113 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL12302802 0.82 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3FPR2PROKR1
SCHEMBL2094567 0.82 SMN1; SMN2 (0.49) FPR2PROKR1ALDH1A1CYP3A4EPHX2
SCHEMBL2951292 0.81 CYP3A4 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL2298024 0.79 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3SMN1; SMN2HTR2C
SCHEMBL2300375 0.79 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3FPR2PROKR1

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.