SCHEMBL5544444

SCHEMBL5544444

Fc1ccc(CNc2cc[c]cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.46
GAA P10253 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PLEC Q15149 1/20 0.39
NTRK1 P04629 1/20 0.39
VNN1 O95497 1/20 0.38
LMNA P02545 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
SCHEMBL6693246 0.87 ADRA2B (0.53) ADRA2BGAAIDO1AGXTMEN1
SCHEMBL5543255 0.85 IDO1 (0.40) IDO1AGXTKDM4ESMN1; SMN2MAOB
SCHEMBL30339701 0.82 L3MBTL1 (0.52) ADRA2BGAAMEN1KMT2AL3MBTL1
SCHEMBL5542195 0.82 MPO (0.38) IDO1AGXTKDM4ESMN1; SMN2
SCHEMBL5180846 0.79 MEN1 (0.53) ADRA2BGAAIDO1AGXTMEN1
SCHEMBL5538986 0.79 KMT2A (0.64) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6693377 0.79 PPARA (0.48) ADRA2BGAAIDO1AGXTMEN1
SCHEMBL28750348 0.75 ADRA2B (0.45) ADRA2BGAAIDO1AGXTMEN1
SCHEMBL5544697 0.74 LMNA (0.49) GAAKDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL2095744 0.74 SLC6A4 (0.49) GAAIDO1AGXTKDM4ESMN1; SMN2

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 7 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
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 ADRA2B 396/4885GAA 4165/4885IDO1 3181/4885

“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.