SCHEMBL2097422

SCHEMBL2097422

FC(F)(F)c1ccc(CN2CC[N]CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
HIF1A Q16665 3/20 0.55
EPAS1 Q99814 3/20 0.55
CHKA P35790 1/20 0.54
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
OPRL1 P41146 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.48
FAAH O00519 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL2092233 0.94 KDM4E (0.71) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL2091992 0.86 ALDH1A1 (0.51) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL29586728 0.83 KDM4E (0.89) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL21620787 0.83 ALDH1A1 (0.96) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL2090287 0.83 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1CYP3A4SIGMAR1
SCHEMBL5544345 0.82 CYP2D6 (0.55) KDM4EALDH1A1HIF1ACASP1CASP5
SCHEMBL2774890 0.82 KCNH2 (0.51) KDM4EALDH1A1POLBSIGMAR1
SCHEMBL13574523 0.81 ALDH1A1 (1.00) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL2095939 0.81 ALDH1A1 (0.54) KDM4EALDH1A1HIF1AEPAS1CHKA
SCHEMBL2093612 0.80 KDM4E (0.72) KDM4EALDH1A1OPRL1POLBGAA

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 4578/4885ALDH1A1 412/4885HIF1A 2374/4885

“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.