SCHEMBL2096320

SCHEMBL2096320

FC(F)(F)c1ccc(C=CCN2CC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 1/20 0.46
LTA4H P09960 1/20 0.43
MAOB P27338 2/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR2C P28335 1/20 0.41
CYP1A2 P05177 3/20 0.39
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 3/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 2/20 0.38
GMNN O75496 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38

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 1.00 HIF1A (0.46) HIF1AEPAS1LTA4HMAOBDRD2
SCHEMBL2098074 0.94 LTA4H (0.46) HIF1AEPAS1LTA4HMAOBDRD2
SCHEMBL2056308 0.82 SIGMAR1 (0.49) HIF1AEPAS1LTA4HMAOBDRD2
SCHEMBL2096705 0.80 LTA4H (0.46) HIF1ALTA4HDRD2HTR2AHTR2B
SCHEMBL2093303 0.80 SIGMAR1 (0.50) HIF1ALTA4HDRD2HTR2AHTR2B
SCHEMBL2091228 0.80 ALDH1A1 (0.47) HIF1ALTA4HDRD2HTR2AHTR2B
SCHEMBL2093306 0.80 SIGMAR1 (0.50) HIF1ALTA4HDRD2HTR2AHTR2B
SCHEMBL2096704 0.80 LTA4H (0.46) HIF1ALTA4HDRD2HTR2AHTR2B
SCHEMBL2091230 0.80 ALDH1A1 (0.47) HIF1ALTA4HDRD2HTR2AHTR2B
SCHEMBL2056273 0.79 MAOB (0.49) HIF1AEPAS1LTA4HMAOBDRD2

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

“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.