SCHEMBL5536112

SCHEMBL5536112

[CH2]Cc1cocc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ESR1 P03372 1/20 0.35
BACE1 P56817 2/20 0.33
PIN1 Q13526 1/20 0.33
TDO2 P48775 2/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR7 P34969 1/20 0.32
NOTUM Q6P988 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 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
SCHEMBL5546573 0.84 DPP4 (0.35) DPP4PDCD1CD274ESR1BACE1
SCHEMBL5546542 0.81 DPP4 (0.33) DPP4PDCD1CD274ESR1
SCHEMBL4652625 0.81 PDCD1 (0.52) DPP4PDCD1CD274ESR1BACE1
SCHEMBL5536520 0.80 PDCD1 (0.33) DPP4PDCD1CD274ESR1
SCHEMBL4652811 0.79 DPP4 (0.57) DPP4PDCD1CD274ESR1BACE1
SCHEMBL5546424 0.78 TDO2 (0.41) TDO2NOTUM
SCHEMBL5537313 0.78 CHRNA7 (0.33) DPP4PDCD1CD274
SCHEMBL5537037 0.78 NPC1 (0.37) KMT2AALDH1A1
SCHEMBL10615231 0.77 ESR1 (0.55) DPP4PDCD1CD274ESR1BACE1
SCHEMBL5545828 0.75 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1

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 10 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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 DPP4 3965/4885PDCD1 1742/4885CD274 784/4885

“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.