SCHEMBL5536487

SCHEMBL5536487

C[C@](O)(CN1CCC(OC/C=C/c2ccccc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.34
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
HTR2B P41595 6/20 0.34
DPP4 P27487 1/20 0.34
AGTR2 P50052 2/20 0.32
CACNA1B Q00975 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 2/20 0.31
DRD2 P14416 1/20 0.31
OPRM1 P35372 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5536491 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDPP4
SCHEMBL5536507 1.00 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BDPP4
SCHEMBL5542270 0.93 KMT2A (0.35)
SCHEMBL5542273 0.93 KMT2A (0.35)
SCHEMBL5542285 0.93 KMT2A (0.35)
SCHEMBL14438023 0.84 DRD2 (0.39) LMNADRD2
SCHEMBL5536503 0.82 CYP2C19 (0.34) LMNA
SCHEMBL5537472 0.81 PRCP (0.37) SIGMAR1LMNADRD2ALDH1A1
SCHEMBL5537478 0.81 PRCP (0.37) SIGMAR1LMNADRD2ALDH1A1
SCHEMBL5539502 0.79 KMT2A (0.39) BCHEACHE

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 234/4885HTR2A 4120/4885HTR2C 2910/4885

“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.