SCHEMBL5546439

SCHEMBL5546439

[CH2]c1cccc(OC2CCCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
HSD11B1 P28845 1/20 0.42
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TNK2 Q07912 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACP1 P24666 1/20 0.32
PTPN1 P18031 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDE4B Q07343 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL3184997 0.89 DHFR (0.53) DHFRHSD11B1KDM4CMEN1KMT2A
SCHEMBL7233566 0.81 DHFR (0.48) DHFRHSD11B1KDM4CMEN1KMT2A
SCHEMBL30812310 0.81 DHFR (0.48) DHFRHSD11B1KDM4C
SCHEMBL5642512 0.81 DHFR (0.48) DHFRHSD11B1KDM4CMEN1KMT2A
SCHEMBL2205861 0.81 DHFR (0.48) DHFRHSD11B1KDM4C
SCHEMBL23975531 0.81 DHFR (0.48) DHFRHSD11B1KDM4CMEN1KMT2A
SCHEMBL1025178 0.81 DHFR (0.54) DHFRHSD11B1KDM4CTNK2NPC1
SCHEMBL29642714 0.81 DHFR (0.48) DHFRHSD11B1KDM4CMEN1KMT2A
SCHEMBL5987851 0.81 DHFR (0.48) DHFRHSD11B1NPC1RAB9A
SCHEMBL3576249 0.81 DHFR (0.48) DHFRHSD11B1KDM4CMEN1KMT2A

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 7 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 DHFR 180/4885HSD11B1 256/4885KDM4C 4636/4885

“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.