SCHEMBL5543631

SCHEMBL5543631

FC(F)(F)c1ccc2[c]scc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
BACE1 P56817 1/20 0.38
EPHX2 P34913 1/20 0.36
SCN4A P35499 1/20 0.36
MPL P40238 2/20 0.36
CYBB P04839 1/20 0.35
NOX3 Q9HBY0 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
GPR3 P46089 1/20 0.34
KDM4E B2RXH2 1/20 0.34
METAP2 P50579 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 2/20 0.33
CES2 O00748 2/20 0.32
TSHR P16473 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
SCHEMBL5535118 0.87
SCHEMBL5542365 0.84 PTPN5 (0.38) PTPN5BACE1EPHX2SCN4AMPL
SCHEMBL4461905 0.75 CYP1A2 (0.38) BACE1
SCHEMBL5540032 0.74 NPC1 (0.42) SCN4AGPR3KDM4EPIM1KIF11
SCHEMBL4477160 0.72 CYP2A6 (0.39) MEN1KMT2ATSHR
SCHEMBL700107 0.71 CYP2A6 (0.44) BACE1KDM4EMEN1KMT2A
SCHEMBL2886545 0.71 PTPN5 (0.41) PTPN5BACE1EPHX2SCN4ACYBB
SCHEMBL7588186 0.70 BACE1 (0.56) PTPN5BACE1EPHX2SCN4AKDM4E
SCHEMBL7164162 0.69 BACE1 (0.39) PTPN5BACE1EPHX2SCN4ACYBB
SCHEMBL5545236 0.69 IDO1 (0.33) IDO1

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 PTPN5 2283/4885BACE1 3399/4885EPHX2 3662/4885

“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.