SCHEMBL2093634

SCHEMBL2093634

[CH2]CCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.61
HTR1A P08908 7/20 0.59
DRD2 P14416 7/20 0.59
HTR2A P28223 4/20 0.59
DRD3 P35462 4/20 0.59
SIGMAR1 Q99720 3/20 0.59
TMEM97 Q5BJF2 2/20 0.59
DRD4 P21917 3/20 0.57
DRD1 P21728 3/20 0.56
DRD5 P21918 3/20 0.56
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HTR7 P34969 1/20 0.52
CACNA1G O43497 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL16666733 0.89 KDM4E (0.67) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL2094432 0.88 KDM4E (0.69) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL2098154 0.86 KDM4E (0.72) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL18754269 0.85 KDM4E (0.75) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL2093966 0.85 DRD4 (0.61) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL8102656 0.83 KDM4E (0.63) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL13079491 0.83 KDM4E (0.78) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL10366646 0.81 KDM4E (0.61) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL4400393 0.81 KDM4E (0.61) KDM4EGAAHTR1ADRD2HTR2A
SCHEMBL2091554 0.81 HTR1A (0.56) GAAHTR1ADRD2HTR2ADRD3

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 KDM4E 4578/4885GAA 3982/4885HTR1A 3561/4885

“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.