SCHEMBL5540976

SCHEMBL5540976

O=[N+]([O-])c1cn2c(n1)O[C@@H](CN1CCN(c3ccc(C(F)(F)F)cc3)CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
HTR1A P08908 1/20 0.40
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR7 P34969 1/20 0.39
SERPINE1 P05121 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 1/20 0.36
DHFR P00374 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 3/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
AKR1C3 P42330 1/20 0.35
DEGS1 O15121 1/20 0.35

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
SCHEMBL5540981 1.00 ENPP2 (0.40) ENPP2HTR1APTGS1SLC6A2SLC6A4
SCHEMBL5536921 0.89 ABCB1 (0.44) ENPP2HTR1APTGS1SLC6A2SLC6A4
SCHEMBL5536915 0.89 ABCB1 (0.44) ENPP2HTR1APTGS1SLC6A2SLC6A4
SCHEMBL5544155 0.89 CHRM1 (0.43) CHRM1
SCHEMBL5543317 0.89 CHRM1 (0.43) CHRM1
SCHEMBL5543324 0.89 CHRM1 (0.43) CHRM1
SCHEMBL5545470 0.87 KMT2A (0.40) ENPP2HTR1AHTR7DRD4POLB
SCHEMBL5545465 0.87 KMT2A (0.40) ENPP2HTR1AHTR7DRD4POLB
SCHEMBL5537565 0.85 HTR7 (0.39) PTGS1SLC6A2SLC6A4CHRM1HTR7
SCHEMBL5537553 0.85 HTR7 (0.39) PTGS1SLC6A2SLC6A4CHRM1HTR7

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 ENPP2 2915/4885HTR1A 4141/4885PTGS1 3838/4885

“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.