SCHEMBL5536073

SCHEMBL5536073

O=[N+]([O-])c1cn(CC2CO2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SOS1 Q07889 1/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.35
PKM P14618 2/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
FGFR1 P11362 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 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
SCHEMBL2098175 1.00 ALDH1A1 (0.42) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL1228896 0.86 ALDH1A1 (0.40) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL31262919 0.82 ALDH1A1 (0.42) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL10677125 0.82 ALDH1A1 (0.60) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL19674858 0.73 FGFR1 (0.40) TP53HBBSMN1; SMN2FGFR1
SCHEMBL28186742 0.73 L3MBTL1 (0.44) ALDH1A1KMT2APKMPOLBTP53
SCHEMBL13281711 0.72 ALDH1A1 (0.37) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL13281709 0.72 ALDH1A1 (0.37) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL15441700 0.72 ALDH1A1 (0.37) ALDH1A1SOS1KMT2AMITFPKM
SCHEMBL59287 0.71 ALDH1A1 (0.43) ALDH1A1SOS1KMT2AMITFPKM

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 ALDH1A1 355/4885SOS1 768/4885KMT2A 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.