SCHEMBL5546200

SCHEMBL5546200

CC(O)(CN1CCN(C2CCN(C(=O)O)CC2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.37
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
CHRM4 P08173 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MITF O75030 1/20 0.30
CCR5 P51681 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5546190 1.00 ACHE (0.37) ACHEKDM4EKMT2ALMNACHRM4
SCHEMBL5543414 0.96 LMNA (0.34) ACHEKDM4EKMT2ALMNACHRM4
SCHEMBL5543424 0.96 LMNA (0.34) ACHEKDM4EKMT2ALMNACHRM4
SCHEMBL5535404 0.90 LMNA (0.39) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5535399 0.90 LMNA (0.39) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5541257 0.90 LMNA (0.39) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5536308 0.87 HRH3 (0.34) KMT2AALDH1A1CYP1A2CYP2D6L3MBTL3
SCHEMBL5536296 0.87 HRH3 (0.34) KMT2AALDH1A1CYP1A2CYP2D6L3MBTL3
SCHEMBL27629324 0.84 LMNA (0.37) ACHEKDM4EKMT2ALMNAALDH1A1
SCHEMBL6010614 0.80 KMT2A (0.35) KMT2ALMNAALDH1A1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACHE 4670/4885KDM4E 4854/4885KMT2A 4267/4885

“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.