SCHEMBL5537041

SCHEMBL5537041

C[C]1Cc2c(Br)cccc2S1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PIM1 P11309 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK5 Q00535 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TRPA1 O75762 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL7976049 0.79 MEN1 (0.38) ALDH1A1HDAC8PARP10PARP11
SCHEMBL5544940 0.76 ADRA2A (0.35) ALDH1A1HDAC4HDAC8
SCHEMBL5543688 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5545887 0.69 ALDH1A1 (0.34) ALDH1A1TRPA1
SCHEMBL2775436 0.67 ALDH1A1 (0.50) ALDH1A1
SCHEMBL10906067 0.66
SCHEMBL19329812 0.64 TRPA1 (0.41) ALDH1A1TRPA1
SCHEMBL31370943 0.63 PIM1 (0.31) PIM1CSNK1A1CDK5ROCK1DYRK1A
SCHEMBL29897982 0.63 HPGD (0.36) ALDH1A1PIM1CSNK1A1CDK5ROCK1
SCHEMBL12670565 0.63 HPGD (0.36) ALDH1A1PIM1CSNK1A1CDK5ROCK1

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 9 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
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 ALDH1A1 355/4885PIM1 3129/4885CSNK1A1 1756/4885

“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.