SCHEMBL4511943

SCHEMBL4511943

O=C(CNC(=O)c1c(F)cccc1F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
GAA P10253 2/20 0.60
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
FABP4 P15090 1/20 0.52
HPGD P15428 1/20 0.50
SLC2A1 P11166 1/20 0.50
MAPT P10636 2/20 0.49
FADS1 O60427 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL4010775 0.86 KMT2A (0.66) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL4008852 0.84 MEN1 (0.63) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL12231092 0.82 MEN1 (0.63) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL4511945 0.79 TSHR (0.58) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL20219039 0.77 TSHR (0.76) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4010777 0.76 TSHR (0.54) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL16160985 0.76 KMT2A (0.76) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL31023418 0.75 TSHR (0.73) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4002460 0.75 TSHR (0.73) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL15302068 0.74 TSHR (1.00) MEN1KMT2ATSHRALDH1A1SMN1; SMN2

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
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
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US 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
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US 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 MEN1 2246/4885KMT2A 218/4885GAA 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.