SCHEMBL4511945

SCHEMBL4511945

O=C(CNCc1c(F)cccc1F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HPGD P15428 1/20 0.53
FABP4 P15090 1/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SLC2A1 P11166 1/20 0.50
MAPT P10636 5/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 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
SCHEMBL4010777 0.86 TSHR (0.54) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL12231091 0.83 NPC1 (0.60) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL4517524 0.82 TSHR (0.58) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL12231094 0.82 TSHR (0.58) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL4511943 0.79 MEN1 (0.67) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL20219039 0.77 TSHR (0.76) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL4010775 0.76 KMT2A (0.66) TSHRKDM4EKMT2AMEN1FABP4
SCHEMBL31023418 0.75 TSHR (0.73) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL4002460 0.75 TSHR (0.73) TSHRKDM4EKMT2AMEN1HPGD
SCHEMBL10032004 0.74 TSHR (0.71) TSHRKDM4EKMT2AMEN1HPGD

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 TSHR 1554/4885KDM4E 1690/4885KMT2A 218/4885

“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.