SCHEMBL2094432

SCHEMBL2094432

[CH2]CCCCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
GAA P10253 1/20 0.69
SIGMAR1 Q99720 4/20 0.61
DRD2 P14416 11/20 0.61
HTR1A P08908 6/20 0.61
DRD3 P35462 6/20 0.61
HTR2A P28223 5/20 0.61
DRD5 P21918 4/20 0.61
TMEM97 Q5BJF2 3/20 0.61
DRD1 P21728 3/20 0.61
DRD4 P21917 5/20 0.58
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
HTR7 P34969 1/20 0.55
CACNA1G O43497 1/20 0.55
KCNH2 Q12809 2/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53

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
SCHEMBL2098154 0.98 KDM4E (0.72) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL16666733 0.95 KDM4E (0.67) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL2093634 0.88 KDM4E (0.61) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL18754269 0.88 KDM4E (0.75) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL11402886 0.83 KDM4E (0.69) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL16666842 0.83 KDM4E (0.69) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL2097950 0.83 DRD2 (0.61) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL16676579 0.83 KDM4E (0.97) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL3200018 0.83 KDM4E (0.69) KDM4EGAASIGMAR1DRD2HTR1A
SCHEMBL5179759 0.83 KDM4E (0.69) KDM4EGAASIGMAR1DRD2HTR1A

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 KDM4E 4578/4885GAA 3982/4885SIGMAR1 161/4885

“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.