SCHEMBL5544890

SCHEMBL5544890

C[C]1Cc2cccc(Cl)c2S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
AHR P35869 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PNMT P11086 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2C P28335 1/20 0.32
NOTUM Q6P988 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 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
SCHEMBL5542608 0.78 MEN1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2A6
SCHEMBL8817021 0.76 MEN1 (0.45) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL5536787 0.75 ACHE (0.34) MEN1KMT2ADRD2DRD3HDAC8
SCHEMBL5545887 0.75 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL25002667 0.71 MEN1 (0.48) NPSR1ALDH1A1MEN1KMT2APNMT
SCHEMBL5536996 0.71 ALDH1A1 (0.37) NPSR1ALDH1A1MEN1KMT2APNMT
SCHEMBL20123600 0.70 ADRA2A (0.33) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL5544940 0.69 ADRA2A (0.35) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL28365692 0.68 AHR (0.38) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL20015248 0.68 HSD17B3 (0.39) ADRA2ACYP2D6ADRA2BADRA2CADRA1D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 ADRA2A 746/4885CYP2D6 728/4885ADRA2B 396/4885

“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.