SCHEMBL5540869

SCHEMBL5540869

O=[C]NCCCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
TAAR1 Q96RJ0 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
SLC6A5 Q9Y345 2/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
MIF P14174 1/20 0.41
FDFT1 P37268 2/20 0.41
MAOB P27338 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
CNR1 P21554 1/20 0.39
DAO P14920 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL5542711 1.00 HDAC1 (0.51) HDAC1HDAC8TAAR1HRH3SLC6A5
SCHEMBL5538857 0.93 HDAC1 (0.50) HDAC1HDAC8TAAR1HRH3SLC6A5
SCHEMBL5535468 0.86 TAAR1 (0.50) HDAC1HDAC8TAAR1MIFMAOB
SCHEMBL5540228 0.82 HDAC1 (0.53) HDAC1HDAC8TAAR1MIFCNR1
SCHEMBL5537488 0.80 SLC6A5 (0.44) HDAC1SLC6A5DAO
SCHEMBL5540875 0.79 HDAC1 (0.53) HDAC1HDAC8TAAR1HRH3SLC6A5
SCHEMBL5542719 0.79 HDAC1 (0.53) HDAC1HDAC8TAAR1HRH3SLC6A5
SCHEMBL3245715 0.78 HDAC1 (0.51) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5250174 0.78 SIGMAR1 (0.62)
SCHEMBL11104163 0.78 SIGMAR1 (0.62)

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 HDAC1 322/4885HDAC8 993/4885TAAR1 364/4885

“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.