SCHEMBL5541570

SCHEMBL5541570

C=C(C)CCc1nnnn1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
HSD11B1 P28845 4/20 0.46
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 1/20 0.41
PTGS2 P35354 2/20 0.40

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
SCHEMBL5542401 0.85 HSD11B1 (0.62) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL14438051 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL5534659 0.77 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL5546774 0.77 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL14438050 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL6002885 0.77 CYP1A2 (0.53) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL14605982 0.76 HSD11B1 (0.70) ALDH1A1LMNANPSR1HSD11B1GAA
SCHEMBL10675087 0.75 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL25250647 0.75 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2C19LMNANPSR1
SCHEMBL25218290 0.73 CYP1A2 (0.60) ALDH1A1CYP1A2CYP2C19LMNANPSR1

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 ALDH1A1 355/4885CYP1A2 659/4885CYP2C19 2521/4885

“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.