SCHEMBL2090929

SCHEMBL2090929

OCCCCCCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
EPHX2 P34913 1/20 0.46
FFAR4 Q5NUL3 3/20 0.46
FFAR1 O14842 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
CYP2C9 P11712 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL8955470 1.00 PDK2 (0.47) PDK2HDAC1HDAC2EPHX2FFAR4
SCHEMBL13750033 1.00 PDK2 (0.47) PDK2HDAC1HDAC2EPHX2FFAR4
SCHEMBL8955539 0.93 HDAC1 (0.50) PDK2HDAC1HDAC2EPHX2FFAR4
SCHEMBL2093067 0.92 FFAR4 (0.48) PDK2EPHX2FFAR4FFAR1MAOB
SCHEMBL8373334 0.87 FFAR4 (0.51) HDAC1HDAC2EPHX2FFAR4FFAR1
SCHEMBL2089956 0.86 ALDH1A1 (0.54) PDK2EPHX2FFAR4FFAR1MAOB
SCHEMBL19621751 0.84 PRMT1 (0.54)
SCHEMBL28451726 0.83 EPHX2 (0.44) HDAC1HDAC2EPHX2FFAR4FFAR1
SCHEMBL8955822 0.83 PDK2 (0.49) PDK2HDAC1HDAC2FFAR4FFAR1
SCHEMBL10731573 0.82 KCNA3 (0.55)

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 3 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

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 PDK2 126/4885HDAC1 280/4885HDAC2 329/4885

“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.