SCHEMBL5544097

SCHEMBL5544097

O=[C]NCc1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALPL P05186 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ERCC1 P07992 1/20 0.30
ERCC4 Q92889 1/20 0.30
CLCN2 P51788 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL3246079 0.84 PNMT (0.50) CYP3A4SMN1; SMN2NPSR1PNMT
SCHEMBL5210365 0.76 IDO1 (0.48) CYP3A4MAPK1MEN1KMT2AERCC1
SCHEMBL514206 0.75 NPC1 (0.55) CYP3A4MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL5544104 0.73 ADH1B (0.41) CYP3A4MAPK1MEN1KMT2ATDP1
SCHEMBL3304786 0.73 P2RX7 (0.43) CYP3A4MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2092553 0.71 IDO1 (0.38) CYP3A4MAPK1TDP1PNMT
SCHEMBL2090165 0.70 CYP3A4 (0.40) CYP3A4MAPK1MEN1KMT2ATDP1
SCHEMBL1547630 0.70 CLCN2 (0.45) CYP3A4MAPK1MEN1KMT2ATDP1
SCHEMBL9770282 0.70 CYP3A4 (0.36) CYP3A4MAPK1MEN1KMT2ATDP1
SCHEMBL5546533 0.70 AKR1B1 (0.43) CYP3A4MAPK1MEN1KMT2ASMN1; SMN2

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 CYP3A4 1683/4885MAPK1 1392/4885PKM 4291/4885

“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.