SCHEMBL5543915

SCHEMBL5543915

FC(F)(F)c1cccc(Nc2cc[c]cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.58
KIF11 P52732 5/20 0.57
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
RAPGEF4 Q8WZA2 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADORA2A P29274 1/20 0.50
AURKA O14965 2/20 0.48
APP P05067 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TEAD1 P28347 1/20 0.47
TEAD4 Q15561 1/20 0.47
TEAD2 Q15562 1/20 0.47
TEAD3 Q99594 1/20 0.47

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
SCHEMBL1921482 0.87 KIF11 (0.70) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL394991 0.87 KIF11 (0.70) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL5540623 0.86 IDH2 (0.44) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL30575363 0.85 IDH2 (0.77) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL7347670 0.85 IDH2 (0.77) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL1921505 0.81 KIF11 (0.64) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL7986700 0.79 ALDH1A1 (0.69) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5544958 0.79 EPHX2 (0.45) KIF11RAB9ATDP1TEAD1TEAD4
SCHEMBL16411339 0.79 KIF11 (0.65) IDH2KIF11MAPTALDH1A1GAA
SCHEMBL10568041 0.79 KIF11 (0.71) IDH2KIF11MAPTALDH1A1GAA

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-109843858-A Certain chemical entities, composition and method 润新生物公司 2019-06-04 CN disclosed
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 IDH2 131/4885KIF11 3946/4885MAPT 4117/4885

“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.