SCHEMBL4393121

SCHEMBL4393121

FC(F)(F)c1cc(Oc2[c]cccc2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TLR7 Q9NYK1 4/20 0.33
TACR1 P25103 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
P2RX1 P51575 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
SCHEMBL5537610 0.87 L3MBTL1 (0.47) L3MBTL1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL5543276 0.84 ALDH1A1 (0.40) L3MBTL1ALDH1A1TSHRCACNA1CMEN1
SCHEMBL2095491 0.79 GPR3 (0.35)
SCHEMBL4427337 0.76 IDO1 (0.46) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL4293777 0.74 SLC6A4 (0.42) MAPTMEN1KMT2A
SCHEMBL8968405 0.74 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL29723532 0.74 LTA4H (0.52) TLR8L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL5541548 0.73 CETP (0.38)
SCHEMBL1532137 0.73 CYP2C9 (0.46) L3MBTL1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL9033990 0.73 GPR84 (0.45) IDO1GPR84TACR1CACNA1FCACNA1D

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
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
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 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-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO 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 (2 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 TLR8 1198/4885L3MBTL1 1931/4885CYP1A2 659/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 TLR8 675/4885L3MBTL1 4880/4885CYP1A2 299/4885

“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.