SCHEMBL4010775

SCHEMBL4010775

O=C(CNC(=O)c1cccc(F)c1F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
GAA P10253 1/20 0.66
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
FADS1 O60427 1/20 0.52
FABP4 P15090 1/20 0.52
AGER Q15109 1/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 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
SCHEMBL4511943 0.86 MEN1 (0.67) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL12231092 0.79 MEN1 (0.63) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL4008852 0.79 MEN1 (0.63) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL4010777 0.78 TSHR (0.54) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL4511945 0.76 TSHR (0.58) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL27316696 0.74 AVPR2 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL20219039 0.74 TSHR (0.76) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL15778764 0.73 FADS1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL16160985 0.73 KMT2A (0.76) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL4002460 0.72 TSHR (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR

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 KMT2A 218/4885MEN1 2246/4885GAA 318/4885

“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.