SCHEMBL4905475

SCHEMBL4905475

N=Cc1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.54
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL14748246 0.80 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9996395 0.80 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3298105 0.79 NFE2L2 (0.58) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8343640 0.76 NFE2L2 (0.36) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18664018 0.76 MIF (0.53) PTGS1ALDH1A1CYP1A1CYP1B1MAPT
SCHEMBL26159191 0.76 DGAT1 (0.39) NFE2L2ALDH1A1MAPTRAB9A
SCHEMBL14542660 0.76 NFE2L2 (0.48) NFE2L2PTGS1PTGS2
SCHEMBL28821844 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29824365 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29413981 0.75 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A

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
WO-2017218330-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-12-21 WO disclosed
US-20080076918-A1 QUINOXALINE COMPOUNDS ALLISON BRETT D 2008-03-27 US disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 EP disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 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 (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-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR NFE2L2 41/4885GRIN2D 1091/4885GRIN3B 992/4885

“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.