SCHEMBL5542657

SCHEMBL5542657

CC1C(=O)[N]c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL4 Q96JB6 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 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
SCHEMBL6306025 0.84 NOS3 (0.36) NOS3NOS1NOS2BRD4CCL2
SCHEMBL5546015 0.74 NOS3 (0.32) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5542352 0.74 S100A4 (0.33) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5534588 0.74 CES2 (0.35) NOS3NOS1NOS2BRD4ALDH1A1
SCHEMBL4163994 0.74 DDB1 (0.33) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL6312892 0.71 HSD11B1 (0.35) MEN1KMT2AMAPT
SCHEMBL6307251 0.71 ACHE (0.36) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL5544412 0.71 HTR5A (0.34) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5548408 0.67 CNR2 (0.38) ALDH1A1MAPTTP53CYP3A4HPGD
SCHEMBL1723946 0.67 NOS1 (0.46) NOS3NOS1NOS2LOXLOXL3

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 NOS3 214/4885NOS1 553/4885NOS2 610/4885

“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.