SCHEMBL5543645

SCHEMBL5543645

CN(C)CCCCCOc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
HRH3 Q9Y5N1 3/20 0.51
LSS P48449 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL5543666 1.00 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5541887 0.98 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL188273 0.92 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL158044 0.86 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5542660 0.82 MAOA (0.52) ALDH1A1MAOAMAOB
SCHEMBL5542033 0.82 MAOA (0.52) ALDH1A1MAOAMAOB
SCHEMBL9851880 0.81 LSS (0.68) KDM4EALDH1A1SMN1; SMN2LSSBCHE
SCHEMBL9491062 0.81 LSS (0.68) KDM4EALDH1A1SMN1; SMN2LSSBCHE
SCHEMBL9851898 0.81 LSS (0.68) KDM4EALDH1A1SMN1; SMN2LSSBCHE
SCHEMBL9851895 0.81 LSS (0.68) KDM4EALDH1A1SMN1; SMN2LSSBCHE

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 6 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-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP 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 KDM4E 4854/4885ALDH1A1 355/4885SMN1; SMN2 3985/4885

“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.