SCHEMBL5545551

SCHEMBL5545551

CC(O)(COC(=O)Nc1ccc(C(F)(F)F)cc1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.38
AHR P35869 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
AR P10275 4/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL5545547 1.00 KMT2A (0.39) KMT2AHIF1AAHRLMNAHTT
SCHEMBL5540970 0.91 GAA (0.43) KMT2AARMEN1ALDH1A1MAPT
SCHEMBL5540972 0.91 GAA (0.43) KMT2AARMEN1ALDH1A1MAPT
SCHEMBL5544939 0.91 KMT2A (0.43) KMT2ALMNAHTTMEN1ALDH1A1
SCHEMBL5544944 0.91 KMT2A (0.43) KMT2ALMNAHTTMEN1ALDH1A1
SCHEMBL5534917 0.89 KMT2A (0.41) KMT2ALMNAHTTARMEN1
SCHEMBL5534918 0.89 KMT2A (0.41) KMT2ALMNAHTTARMEN1
SCHEMBL5541509 0.89 KMT2A (0.40) KMT2AHIF1AMEN1ALDH1A1MAPT
SCHEMBL5541500 0.89 KMT2A (0.40) KMT2AHIF1AMEN1ALDH1A1MAPT
SCHEMBL5544128 0.84 MAPT (0.46) KMT2ALMNAHTTMEN1ALDH1A1

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 KMT2A 4267/4885HIF1A 2302/4885AHR 1471/4885

“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.