SCHEMBL5536996

SCHEMBL5536996

C[C]1Cc2cccc(C(F)(F)F)c2S1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HSD11B1 P28845 2/20 0.33
MPL P40238 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
P2RX7 Q99572 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOTUM Q6P988 1/20 0.30
PNMT P11086 1/20 0.30
TEAD1 P28347 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 1/20 0.30

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
SCHEMBL5536787 0.75 ACHE (0.34) MEN1KMT2A
SCHEMBL5542608 0.74 MEN1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL5543688 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1CHRNB2CHRNA4HSD11B1
SCHEMBL5544890 0.71 ADRA2A (0.36) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL5545887 0.71 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL20123682 0.69 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2ANOTUM
SCHEMBL17058336 0.67 ALDH1A1 (0.34) ALDH1A1L3MBTL1CHRNB2CHRNA4MPL
SCHEMBL17307160 0.66 CA2 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL6630838 0.65 TAS2R14 (0.46) ALDH1A1L3MBTL1HSD11B1MPLP2RX7
SCHEMBL28145935 0.64 ALDH1A1 (0.42) ALDH1A1L3MBTL1CHRNB2CHRNA4MEN1

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 ALDH1A1 355/4885L3MBTL1 1931/4885CHRNB2 1140/4885

“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.