SCHEMBL5542448

SCHEMBL5542448

[CH2]N1CC=C(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 7/20 0.36
SLC6A4 P31645 6/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RGS12 O14924 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5542453 0.81 SLC6A2 (0.47) CFTRGOPCSLC6A2SLC6A3SLC6A4
SCHEMBL8516623 0.71 CFTR (0.50) CFTRGOPCSLC6A2SLC6A3ALDH1A1
SCHEMBL5547573 0.68 SLC6A2 (0.35) CFTRGOPCSLC6A2SLC6A3SLC6A4
SCHEMBL9529438 0.66 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13783154 0.63 CFTR (0.42) CFTRGOPCSLC6A2SLC6A3MAOA
SCHEMBL3986140 0.61 ALDH1A1 (0.54) ALDH1A1TSHRKMT2A
SCHEMBL13782120 0.60 CFTR (0.50) CFTRGOPC
SCHEMBL28625256 0.59 CFTR (0.46) CFTRGOPCTSHRKMT2ALMNA
SCHEMBL5545795 0.58 CFTR (0.44) CFTRGOPCTSHRKMT2ACYP3A4
SCHEMBL1224368 0.58 CFTR (0.48) CFTRGOPCSLC6A2SLC6A3ALDH1A1

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 CFTR 2692/4885GOPC 2964/4885SLC6A2 3396/4885

“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.