SCHEMBL5535970

SCHEMBL5535970

[CH2]c1cc2cccc(OC(F)(F)F)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
CA2 P00918 1/20 0.36
MPL P40238 1/20 0.36
SCN9A Q15858 8/20 0.35
KDM4E B2RXH2 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
F2RL3 Q96RI0 2/20 0.34
SYK P43405 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL19756667 0.81 CHRNA7 (0.41) CHRNA7HTR3ACA2MPLSCN9A
SCHEMBL5542286 0.80 CA2 (0.54) CHRNA7HTR3ACA2KDM4ECYP3A4
SCHEMBL17843017 0.76 CHRNA7 (0.53) CHRNA7HTR3ASCN9AKDM4EHDAC3
SCHEMBL5534903 0.75 KDM4E (0.36) CA2MPLSCN9AKDM4EGRIA1
SCHEMBL5534861 0.75 ALDH1A1 (0.42) CHRNA7HTR3ACA2KDM4EF2RL3
SCHEMBL17842692 0.73 CHRNA7 (0.53) CHRNA7HTR3ACA2SCN9AKDM4E
SCHEMBL25871240 0.72 KDM4E (0.41) CHRNA7HTR3AMPLSCN9AKDM4E
SCHEMBL19756668 0.71 CYP2A6 (0.42) CHRNA7HTR3AMPLSCN9AKDM4E
SCHEMBL1044967 0.71 KDM4E (0.39) MPLSCN9AKDM4EGRIA1CACNG8
SCHEMBL2091684 0.70 CHRNA7 (0.36) CHRNA7HTR3ACA2KDM4EHDAC3

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 CHRNA7 997/4885HTR3A 2855/4885CA2 1853/4885

“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.