SCHEMBL5541887

SCHEMBL5541887

CN(C)CCCCOc1cc[c]cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.56
HRH3 Q9Y5N1 3/20 0.53
LSS P48449 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1B P28222 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 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
SCHEMBL5543645 0.98 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5543666 0.98 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL188273 0.94 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL158044 0.88 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5536172 0.81 MAOA (0.50) MAOAMAOB
SCHEMBL2181192 0.81 DRD2 (0.49) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL5542033 0.80 MAOA (0.52) ALDH1A1MAOAMAOB
SCHEMBL5542660 0.80 MAOA (0.52) ALDH1A1MAOAMAOB
SCHEMBL9851879 0.80 LSS (0.70) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL9671156 0.79 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS

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
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
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 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.