SCHEMBL2087780

SCHEMBL2087780

CCCCCOC(=O)NCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 1/20 0.49
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2C P28335 3/20 0.43

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
SCHEMBL2098151 0.84 FAAH (0.51) FAAHEPHX2PPARAPPARGHDAC3
SCHEMBL2094064 0.82 EPHX2 (0.60) EPHX2NR1H4PPARAPPARGKDM4E
SCHEMBL13387445 0.82 FAAH (0.58) FAAH
SCHEMBL27669569 0.81 LMNA (0.51) FAAHHDAC3HDAC1HDAC2CYP2C19
SCHEMBL13968725 0.79 EPHX2 (0.54) EPHX2NR1H4PPARAPPARGHPGD
SCHEMBL2087778 0.79 HRH2 (0.43) PPARGHRH2HRH1HDAC3HDAC1
SCHEMBL16696334 0.78 FAAH (0.56) FAAHALDH1A1HPGD
SCHEMBL27859550 0.78 EPHX2 (0.62) EPHX2NR1H4PPARAPPARGHDAC3
SCHEMBL934356 0.77 HPGD (0.65) EPHX2NR1H4PPARAPPARGHDAC3
SCHEMBL29696196 0.77 SPHK1 (0.52) EPHX2NR1H4PPARAPPARGHDAC3

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 FAAH 3448/4885EPHX2 3472/4885NR1H4 446/4885

“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.