SCHEMBL5545970

SCHEMBL5545970

C[C@](O)(CN1CCN(Nc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.33
KMT2A Q03164 2/20 0.33
EPAS1 Q99814 2/20 0.33
AR P10275 2/20 0.32
SOS1 Q07889 1/20 0.32
KCNH2 Q12809 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL5545974 1.00 HIF1A (0.33) HIF1AKMT2AEPAS1ARSOS1
SCHEMBL5542825 0.86 ENPP2 (0.41) ARPOLB
SCHEMBL5542997 0.83 GRM2 (0.39)
SCHEMBL5543009 0.83 GRM2 (0.39)
SCHEMBL5543344 0.82 MAPT (0.45) ALDH1A1POLB
SCHEMBL5543334 0.82 MAPT (0.45) ALDH1A1POLB
SCHEMBL5543337 0.82 MAPT (0.45) ALDH1A1POLB
SCHEMBL5540878 0.81 ADRB2 (0.41) KCNH2
SCHEMBL5543252 0.81 ADRB2 (0.41) KCNH2
SCHEMBL5540503 0.80 KMT2A (0.38) KMT2ASOS1ALDH1A1POLB

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 5 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

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 HIF1A 2302/4885KMT2A 4267/4885EPAS1 4415/4885

“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.