SCHEMBL5546458

SCHEMBL5546458

CC(C)N1C(=O)[N]c2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MYC P01106 2/20 0.34
NR4A1 P22736 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MAPK14 Q16539 1/20 0.34
TLR8 Q9NR97 1/20 0.33
LMNA P02545 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
TSPO P30536 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
CNR1 P21554 2/20 0.32

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
SCHEMBL5538711 0.87 HTR1A (0.33) POLBMYCCA12CA2CA4
SCHEMBL5545351 0.80 PARK7 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5539472 0.77 CA12 (0.44) POLBMYCNR4A1CA12CA2
SCHEMBL4813307 0.75 SMN1; SMN2 (0.38) LMNAALDH1A1
SCHEMBL5545400 0.73 PAK1 (0.39) MYCNR4A1CA12CA2CA4
SCHEMBL11192451 0.68 ALDH3A1 (0.49) CA12CA2CA9ALDH1A1
SCHEMBL5542712 0.67 NOTUM (0.42) POLBGRIA1GRIA2GRIA3GRIA4
SCHEMBL5546387 0.67 CNR2 (0.46) CNR1CNR2
SCHEMBL5540195 0.67 LMNA (0.40) POLBCA12CA2CA4CA7
SCHEMBL14615641 0.67 SLC5A1 (0.43) KMO

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 7 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-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
WO-1994000449-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 POLB 1637/4885MYC 1137/4885NR4A1 9/4885

“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.