SCHEMBL5543255

SCHEMBL5543255

Fc1ccc(CCNc2cc[c]cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
DAO P14920 1/20 0.38
HTR2A P28223 5/20 0.36
HTR2C P28335 4/20 0.36
PTGDR Q13258 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 3/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
GSK3B P49841 1/20 0.33
BACE1 P56817 1/20 0.33
PPARA Q07869 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
SCHEMBL5542195 0.90 MPO (0.38) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL5544444 0.85 ADRA2B (0.46) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL5543697 0.79 TAAR1 (0.55) SMN1; SMN2
SCHEMBL5542245 0.75 TAAR1 (0.52)
SCHEMBL5537754 0.74 L3MBTL1 (0.41) IDO1DAO
SCHEMBL5541449 0.73 TAAR1 (0.57) HTR2AKDM4E
SCHEMBL5537291 0.73 TAAR1 (0.40) HTR2ASMN1; SMN2ADORA3
SCHEMBL7700904 0.73 IDO1 (0.58) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL13359835 0.73 TAAR1 (0.60) IDO1AGXTDAOHTR2AHTR2C
SCHEMBL5541012 0.72 GPR84 (0.50) IDO1KDM4E

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 6 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
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 IDO1 3181/4885AGXT 2967/4885DAO 1115/4885

“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.