SCHEMBL2097773

SCHEMBL2097773

FC(F)(F)c1ccc(CCCCCN2CC[N]CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
SIGMAR1 Q99720 8/20 0.48
GAA P10253 1/20 0.45
HRH1 P35367 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL2090550 1.00 HRH3 (0.49) HRH3SIGMAR1GAAHRH1HTR1A
SCHEMBL2090818 0.95 HRH3 (0.51) HRH3SIGMAR1GAAHRH1KDM4E
SCHEMBL2095133 0.95 HRH3 (0.51) HRH3SIGMAR1GAAHRH1KDM4E
SCHEMBL2093546 0.94 SIGMAR1 (0.51) HRH3SIGMAR1GAAKDM4EALDH1A1
SCHEMBL2093918 0.93 HRH3 (0.52) HRH3SIGMAR1GAAHRH1KDM4E
SCHEMBL2089812 0.89 SIGMAR1 (0.54) HRH3SIGMAR1HRH1KDM4EALDH1A1
SCHEMBL2090287 0.88 ALDH1A1 (0.47) HRH3SIGMAR1KDM4EALDH1A1
SCHEMBL2092463 0.82 ALDH1A1 (0.50) HRH3SIGMAR1KDM4EALDH1A1
SCHEMBL2089513 0.82 GRM2 (0.54) HRH3SIGMAR1HRH1HTR1ADRD2
SCHEMBL2094526 0.82 GRM2 (0.54) HRH3SIGMAR1HRH1HTR1ADRD2

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 HRH3 538/4885SIGMAR1 161/4885GAA 3982/4885

“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.