SCHEMBL2091679

SCHEMBL2091679

O=[C]N(Cc1ccccc1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
G6PC1 P35575 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2095814 0.86 TRPM8 (0.38) TMEM97SIGMAR1ALDH1A1TSHRLMNA
SCHEMBL2088915 0.81 ATF1 (0.39) TMEM97SIGMAR1ALDH1A1L3MBTL1NPC1
SCHEMBL2096050 0.81 SIGMAR1 (0.41) TMEM97SIGMAR1ALDH1A1NPC1RAB9A
SCHEMBL2091245 0.77 S1PR1 (0.39) ALDH1A1L3MBTL1HSP90AA1NPC1RAB9A
SCHEMBL2094147 0.76 CNR1 (0.43) TMEM97SIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL2096127 0.76 MEN1 (0.41) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL2093396 0.75 PGR (0.41) TMEM97SIGMAR1ALDH1A1NPC1RAB9A
SCHEMBL2094791 0.75 G6PC1 (0.43) TMEM97SIGMAR1MEN1KMT2AG6PC1
SCHEMBL5544416 0.75 TSPO (0.44) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL2091681 0.73 ACLY (0.39) ACLYTMEM97SIGMAR1HSP90AA1NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ACLY 1022/4885TMEM97 335/4885SIGMAR1 234/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ACLY 618/4885TMEM97 437/4885SIGMAR1 161/4885

“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.