SCHEMBL5540036

SCHEMBL5540036

COc1ccc(CN(C)CC(C)(O)Cn2cc([N+](=O)[O-])nc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.36
KCNH2 Q12809 1/20 0.35
ACHE P22303 1/20 0.35
NR1D1 P20393 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DCTPP1 Q9H773 2/20 0.34
KMT2A Q03164 1/20 0.34
SLC29A1 Q99808 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PYCR1 P32322 1/20 0.33
MAPT P10636 1/20 0.33
ACLY P53396 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL5540027 1.00 SOS1 (0.36) SOS1KCNH2ACHENR1D1ALDH1A1
SCHEMBL5535327 0.90 KMT2A (0.43) SOS1NR1D1ALDH1A1HTTL3MBTL1
SCHEMBL5534674 0.90 KCNH2 (0.40) SOS1KCNH2LMNATHRB
SCHEMBL5534677 0.90 KCNH2 (0.40) SOS1KCNH2LMNATHRB
SCHEMBL5536277 0.88 SOS1 (0.37) SOS1KCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5539824 0.88 PKM (0.36) SOS1ALDH1A1KMT2ALMNA
SCHEMBL5545114 0.86 SOS1 (0.38) SOS1NR1D1ALDH1A1HTTSMN1; SMN2
SCHEMBL5536734 0.76 KMT2A (0.44) SOS1ALDH1A1HTTL3MBTL1KMT2A
SCHEMBL5542905 0.76 PKM (0.38) SOS1ALDH1A1KMT2ALMNAMAPT
SCHEMBL5542902 0.76 PKM (0.38) SOS1ALDH1A1KMT2ALMNAMAPT

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 SOS1 768/4885KCNH2 3503/4885ACHE 4670/4885

“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.