SCHEMBL2096464

SCHEMBL2096464

[CH2]N1CCC(Oc2ccccc2)CC1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A4 P31645 2/20 0.45
HRH1 P35367 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
EPHX2 P34913 3/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACLY P53396 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSC P53634 2/20 0.36
CTSH P09668 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
SCHEMBL2096465 0.80 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL2098373 0.77 EPHX2 (0.45) SLC6A2SLC6A3SLC6A4CARM1PRMT6
SCHEMBL5541350 0.77 HRH1 (0.55) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL2098375 0.74 EPHX2 (0.45) SLC6A2SLC6A3CARM1PRMT6EPHX2
SCHEMBL17476199 0.74 HRH1 (0.47) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL2094944 0.72 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL9079490 0.69 HRH1 (0.55) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL22878199 0.69 HRH1 (0.55) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL13757100 0.69 HRH1 (0.55) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL3436987 0.69 SMN1; SMN2 (0.71) SLC6A2SLC6A3HRH1CARM1PRMT6

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 3591/4885SLC6A3 3737/4885SLC6A4 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.