SCHEMBL5534534

SCHEMBL5534534

O=[N+]([O-])c1cn2c(n1)OC(CN1CCN(Cc3ccc(-c4ccccc4)cc3)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
HTR1A P08908 2/20 0.39
ABCB1 P08183 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTPN11 Q06124 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CHRM1 P11229 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CCR2 P41597 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37

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
SCHEMBL5548049 1.00 SIGMAR1 (0.39) SIGMAR1HTR1AABCB1ALDH1A1TSHR
SCHEMBL5534527 1.00 SIGMAR1 (0.39) SIGMAR1HTR1AABCB1ALDH1A1TSHR
SCHEMBL5543324 0.85 CHRM1 (0.43) ALDH1A1BCHEACHEBACE1CHRM1
SCHEMBL5543317 0.85 CHRM1 (0.43) ALDH1A1BCHEACHEBACE1CHRM1
SCHEMBL5544155 0.85 CHRM1 (0.43) ALDH1A1BCHEACHEBACE1CHRM1
SCHEMBL14971108 0.80 ALDH1A1 (0.44) ALDH1A1TSHRPTPRFPTPN1PTPRA
SCHEMBL5538961 0.79 CHRM1 (0.35) HTR1AALDH1A1CHRM1
SCHEMBL5538952 0.79 CHRM1 (0.35) HTR1AALDH1A1CHRM1
SCHEMBL5540324 0.79 CHRM1 (0.35) HTR1AALDH1A1CHRM1
SCHEMBL5545470 0.78 KMT2A (0.40) HTR1A

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 SIGMAR1 234/4885HTR1A 4141/4885ABCB1 2408/4885

“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.