SCHEMBL4229295

SCHEMBL4229295

[2H]N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=NC12C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 1/20 0.38
NOTUM Q6P988 1/20 0.38
SCN5A Q14524 1/20 0.38
CES1 P23141 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
POLB P06746 1/20 0.36
PIP4K2A P48426 1/20 0.35
ABL1 P00519 3/20 0.35
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CHRM5 P08912 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL4655140 0.84 POLB (0.48) PIM1PIM2NOTUMCES1NISCH
SCHEMBL950407 0.84 TDP2 (0.39) PIM1PIM2NOTUMNISCHPOLB
SCHEMBL4520152 0.78 IDO1 (0.34) PIM1PIM2NOTUMPOLB
SCHEMBL950279 0.73 POLB (0.64) PIM1PIM2NOTUMPOLB
SCHEMBL4599178 0.68 POLB (0.46) POLB
SCHEMBL4229216 0.67 GCGR (0.47) MMP2MMP9MMP8CHRM5
SCHEMBL4443465 0.67 POLB (0.51) PIM1PIM2NOTUMPOLBWNT3A
SCHEMBL4230837 0.66 GCGR (0.44) SCN5AABL1MMP2MMP9MMP8
SCHEMBL3575629 0.62 PIM1 (0.34) PIM1PIM2
SCHEMBL3006632 0.60 PIM1 (0.44) PIM1PIM2NOTUMSCN5ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 PIM1 3776/4885PIM2 4348/4885NOTUM 1274/4885

“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.