SCHEMBL5542341

SCHEMBL5542341

O=[C]OCCCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
NAAA Q02083 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5254429 0.94 HRH1 (0.48) HRH1NAAACYP3A4CYP2D6CYP2C9
SCHEMBL271200 0.93 HRH1 (0.52) HRH1NAAACYP3A4CYP2D6CYP2C9
SCHEMBL5543416 0.93 HRH1 (0.52) HRH1NAAACYP3A4CYP2D6CYP2C9
SCHEMBL1455815 0.88 LOXL2 (0.45) HRH1NAAACYP3A4CYP2D6CYP2C9
SCHEMBL96171 0.80 IDO1 (0.55) NPC1KMT2ALMNASMN1; SMN2TDP1
SCHEMBL5255747 0.79 CYP2A6 (0.54) HRH1CYP3A4CYP2D6CYP2C9HRH3
SCHEMBL5539411 0.77 MAOB (0.48) CYP3A4LOXL2NPC1ALDH1A1LMNA
SCHEMBL2096837 0.77 TAAR1 (0.47) NAAAKMT2A
SCHEMBL183663 0.75 LOXL2 (0.41) CYP3A4CYP2D6CYP2C9LOXL2CYP1A2
SCHEMBL2516 0.74 IDO1 (0.48) NAAALMNASMN1; SMN2MAPT

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 5 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
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
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 HRH1 668/4885NAAA 2414/4885CYP3A4 1683/4885

“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.