SCHEMBL4010777

SCHEMBL4010777

O=C(CNCc1cccc(F)c1F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
FABP4 P15090 1/20 0.52
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G1B P04054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SLC2A1 P11166 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL12231091 0.88 NPC1 (0.60) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL4511945 0.86 TSHR (0.58) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL12231094 0.79 TSHR (0.58) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL4517524 0.79 TSHR (0.58) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL4010775 0.78 KMT2A (0.66) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL4511943 0.76 MEN1 (0.67) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL4008452 0.75 MAPT (0.62) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL20219039 0.74 TSHR (0.76) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL12231064 0.74 ALDH1A1 (0.56) TSHRFABP4KDM4EKMT2AMEN1
SCHEMBL12231109 0.73 ALDH1A1 (0.51) TSHRFABP4KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069286-B1 INHIBITORS FOR GLYT-1 HOFFMANN LA ROCHE (CH) 2012-09-19 EP claimed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US claimed
EP-2069286-A1 INHIBITORS FOR GLYT-1 F. Hoffmann-Roche AG (CH) 2009-06-17 EP claimed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US claimed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO claimed
EP-2069286-B1 INHIBITORS FOR GLYT-1 HOFFMANN LA ROCHE (CH) 2012-09-19 EP disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
EP-2069286-A1 INHIBITORS FOR GLYT-1 F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT TSHR 1554/4885FABP4 3747/4885KDM4E 1690/4885

“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.