SCHEMBL2098074

SCHEMBL2098074

FC(F)(F)c1ccc(C=CCN2CCC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
HIF1A Q16665 3/20 0.42
EPAS1 Q99814 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 3/20 0.40
MAOB P27338 2/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR2C P28335 1/20 0.38
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GMNN O75496 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL2096316 0.94 HIF1A (0.46) LTA4HHIF1AEPAS1ALDH1A1HRH3
SCHEMBL2096320 0.94 HIF1A (0.46) LTA4HHIF1AEPAS1ALDH1A1HRH3
SCHEMBL2094802 0.82 LTA4H (0.49) LTA4HHIF1AALDH1A1KDM4EHRH3
SCHEMBL2091431 0.82 LTA4H (0.49) LTA4HHIF1AALDH1A1KDM4EHRH3
SCHEMBL2097099 0.82 LTA4H (0.49) LTA4HHIF1AALDH1A1KDM4EHRH3
SCHEMBL2092607 0.78 MAPK1 (0.47) LTA4HALDH1A1KDM4EHRH3LMNA
SCHEMBL2056308 0.77 SIGMAR1 (0.49) LTA4HHIF1AEPAS1ALDH1A1KCNH2
SCHEMBL2090935 0.76 LTA4H (0.43) LTA4HHRH3SIGMAR1MAPK1
SCHEMBL2091603 0.76 LTA4H (0.43) LTA4HALDH1A1KDM4EHRH3SIGMAR1
SCHEMBL2092233 0.76 KDM4E (0.71) HIF1AEPAS1ALDH1A1KDM4EHRH3

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 LTA4H 3093/4885HIF1A 2374/4885EPAS1 3934/4885

“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.