SCHEMBL2094532

SCHEMBL2094532

O=CCC=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
FBP1 P09467 1/20 0.50
HDAC3 O15379 1/20 0.49
ADAM17 P78536 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
AHR P35869 1/20 0.47
PTGS1 P23219 1/20 0.47
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
NQO2 P16083 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44

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
SCHEMBL2090789 1.00 CYP1A2 (0.53) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL11443780 0.87 CYP1A2 (0.55) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL31634335 0.85 CYP1A2 (0.50) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL31634316 0.85 CYP1A2 (0.50) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL2092817 0.82 CYP1A2 (0.55) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL2092816 0.82 CYP1A2 (0.55) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL2091387 0.80 IDO1 (0.38) FBP1AHRPTGS1
SCHEMBL2092402 0.78 FBP1 (0.55) FBP1P4HBMAOB
SCHEMBL5548258 0.78 CYP1A2 (0.47) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL22931544 0.78 AHR (0.68) CYP1A2FBP1HDAC3ADAM17HDAC1

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 CYP1A2 420/4885FBP1 784/4885HDAC3 188/4885

“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.