SCHEMBL2095294

SCHEMBL2095294

[CH2]OCC=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP1A2 P05177 1/20 0.47
AHR P35869 1/20 0.46
FBP1 P09467 1/20 0.44
NQO2 P16083 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HDAC3 O15379 1/20 0.43
ADAM17 P78536 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 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
SCHEMBL2095293 1.00 PTGS1 (0.50) PTGS1CA1CA2CYP1A2AHR
SCHEMBL6003088 0.84 DRD2 (0.47) PTGS1CA1CA2CYP1A2AHR
SCHEMBL11443780 0.81 CYP1A2 (0.55) PTGS1CA1CA2CYP1A2AHR
SCHEMBL2092212 0.81 PPARG (0.41) PTGS1AHRFBP1DRD2HTR2A
SCHEMBL2088583 0.80 GRIK1 (0.46) CA1CA2HDAC1HDAC8GRIK1
SCHEMBL5548258 0.80 CYP1A2 (0.47) PTGS1CA1CA2CYP1A2AHR
SCHEMBL2088582 0.80 GRIK1 (0.46) CA1CA2HDAC1HDAC8GRIK1
SCHEMBL1044870 0.80 CYP1A2 (0.50) PTGS1CA1CA2CYP1A2AHR
SCHEMBL1044871 0.80 CYP1A2 (0.50) PTGS1CA1CA2CYP1A2AHR
SCHEMBL2096967 0.80 NFE2L2 (0.45) PTGS1FBP1NQO2DRD2HTR2A

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 PTGS1 2872/4885CA1 4171/4885CA2 2002/4885

“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.