SCHEMBL4754016

SCHEMBL4754016

CCCCN1C(=O)[N]c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
CES1 P23141 2/20 0.45
CDC25A P30304 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5544626 0.95 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL5547622 0.94 CDC25A (0.54) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL4750501 0.90 ADRA2A (0.44) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL8185591 0.83 SLC9A1 (0.35) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL4952094 0.83 HTR2A (0.47) ALDH1A1ALDH2ALDH3A1
SCHEMBL7436460 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL4753186 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL4753129 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6CHRM2CHRM4
SCHEMBL5546387 0.73 CNR2 (0.46) CES1CDC25ADRD2CNR2CNR1
SCHEMBL2761355 0.72 ALDH1A1 (0.52) ALDH1A1ALDH2ALDH3A1CES1CHRM1

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 6 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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO 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 355/4885ALDH2 387/4885ALDH3A1 98/4885

“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.