SCHEMBL5535893

SCHEMBL5535893

[CH2]Cc1cocc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
NOTUM Q6P988 6/20 0.35
AHR P35869 1/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
PTGS2 P35354 2/20 0.32
MMP9 P14780 1/20 0.31
LMNA P02545 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
PIK3CA P42336 1/20 0.30
PTGS1 P23219 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
SCHEMBL5534474 0.82 SIRT2 (0.35) ESR1NOTUMAHRTDO2ALDH1A1
SCHEMBL5541279 0.81 SIRT2 (0.34) ESR1NOTUMAHRTDO2ALDH1A1
SCHEMBL5536112 0.80 DPP4 (0.38) ESR1NOTUMTDO2ALDH1A1CYP2A6
SCHEMBL5542965 0.80 SIRT2 (0.33) ESR1NOTUMALDH1A1NPSR1SIRT2
SCHEMBL5546424 0.79 TDO2 (0.41) NOTUMTDO2PTGS2ALOX15ALOX12
SCHEMBL3973867 0.79 ESR1 (0.56) ESR1NOTUMAHRTDO2ALDH1A1
SCHEMBL27610606 0.74 GCGR (0.40) ALDH1A1CYP1A2SIRT2LMNA
SCHEMBL5538965 0.74 ESR1 (0.41) ESR1NOTUMAHRTDO2ALDH1A1
SCHEMBL9869813 0.72 AHR (0.41) NOTUMAHRCYP1A2LMNACYP2A6
SCHEMBL8040627 0.72 ESR1 (0.35) ESR1

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 ESR1 1578/4885NOTUM 3827/4885AHR 1471/4885

“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.