SCHEMBL2092360

SCHEMBL2092360

[O]c1nc2c(N3CCC(Oc4cccc(OC(F)(F)C(F)(F)F)c4)CC3)cccc2s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
GPR6 P46095 1/20 0.35
SCD O00767 5/20 0.33
TP53 P04637 1/20 0.33
AOC3 Q16853 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
HTR1A P08908 2/20 0.32
MGLL Q99685 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
NOTUM Q6P988 1/20 0.32
MMP13 P45452 1/20 0.32
OPRK1 P41145 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL2090128 0.84 MGLL (0.37) HTR1AMGLL
SCHEMBL5016197 0.80 DRD2 (0.43) MEN1KMT2AHTR1A
SCHEMBL2088107 0.80 HRH1 (0.37) SCN9ASCDOPRK1
SCHEMBL2093128 0.78 SCD (0.48) SCD
SCHEMBL2094072 0.77 SCD (0.36) SCDTP53AOC3
SCHEMBL2096120 0.76 GPR6 (0.39) SCN9AGPR6MEN1KMT2AMGLL
SCHEMBL2093651 0.76 SCD (0.44) SCN9AGPR6SCD
SCHEMBL2094923 0.71 GRM2 (0.37)
SCHEMBL2097825 0.70 GRM2 (0.36)
SCHEMBL2096091 0.70 MMP13 (0.42) SCN9AACACBMMP13

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 SCN9A 3557/4885GPR6 465/4885SCD 3633/4885

“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.