SCHEMBL2096052

SCHEMBL2096052

O=CN(Cc1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
TMEM97 Q5BJF2 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
G6PC1 P35575 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPK1 P28482 1/20 0.38
FSCN1 Q16658 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2090399 0.85 NPC1 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2096129 0.83 MEN1 (0.41) RAB9AMEN1KMT2AG6PC1ALDH1A1
SCHEMBL2091681 0.81 ACLY (0.39) SIGMAR1TMEM97NPC1RAB9AMEN1
SCHEMBL2094150 0.77 CNR2 (0.47) SIGMAR1TMEM97MEN1KMT2AG6PC1
SCHEMBL2091482 0.76 TMEM97 (0.39) SIGMAR1TMEM97MEN1KMT2ALMNA
SCHEMBL2093397 0.76 PGR (0.41) SIGMAR1NPC1RAB9AALDH1A1
SCHEMBL2088916 0.76 ATF1 (0.39) SIGMAR1TMEM97NPC1RAB9AG6PC1
SCHEMBL2096050 0.75 SIGMAR1 (0.41) SIGMAR1TMEM97NPC1RAB9AMEN1
SCHEMBL2091248 0.74 S1PR1 (0.42) NPC1RAB9AMEN1KMT2AG6PC1
SCHEMBL2097529 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 234/4885TMEM97 335/4885NPC1 2404/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SIGMAR1 161/4885TMEM97 437/4885NPC1 3130/4885

“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.