SCHEMBL2093546

SCHEMBL2093546

FC(F)(F)c1ccc(CCCN2CC[N]CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
HRH3 Q9Y5N1 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 1/20 0.43
MAOB P27338 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL2089812 0.94 SIGMAR1 (0.54) SIGMAR1HRH3KDM4EALDH1A1ARG1
SCHEMBL2090550 0.94 HRH3 (0.49) SIGMAR1HRH3KDM4EALDH1A1GAA
SCHEMBL2097773 0.94 HRH3 (0.49) SIGMAR1HRH3KDM4EALDH1A1GAA
SCHEMBL2090287 0.90 ALDH1A1 (0.47) SIGMAR1HRH3KDM4EALDH1A1TAAR1
SCHEMBL2093918 0.90 HRH3 (0.52) SIGMAR1HRH3KDM4EALDH1A1LTA4H
SCHEMBL2095133 0.89 HRH3 (0.51) SIGMAR1HRH3KDM4EALDH1A1LTA4H
SCHEMBL2090818 0.89 HRH3 (0.51) SIGMAR1HRH3KDM4EALDH1A1LTA4H
SCHEMBL7927613 0.85 SIGMAR1 (0.69) SIGMAR1HRH3KDM4EALDH1A1LTA4H
SCHEMBL2092463 0.85 ALDH1A1 (0.50) SIGMAR1HRH3KDM4EALDH1A1LTA4H
SCHEMBL2092480 0.81 SLC6A4 (0.55) SIGMAR1HRH3ALDH1A1

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 SIGMAR1 161/4885HRH3 538/4885KDM4E 4578/4885

“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.