SCHEMBL950407

SCHEMBL950407

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.39
POLB P06746 1/20 0.38
NEK2 P51955 1/20 0.36
KIF11 P52732 2/20 0.35
PIM1 P11309 4/20 0.34
NOTUM Q6P988 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TNKS O95271 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TSHR P16473 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPKAPK2 P49137 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
SCHEMBL4229295 0.84 PIM1 (0.38) POLBPIM1NOTUMPIM2WNT3A
SCHEMBL4443465 0.83 POLB (0.51) TDP2POLBNEK2KIF11PIM1
SCHEMBL4229154 0.83 POLB (0.46) TDP2POLBNEK2KIF11PIM1
SCHEMBL950042 0.72 POLB (0.71) TDP2POLBNEK2TSHR
SCHEMBL953438 0.71 POLB (0.69) TDP2POLBNEK2TSHR
SCHEMBL4599178 0.70 POLB (0.46) TDP2POLBNEK2TSHR
SCHEMBL15943169 0.66 NEK2 (0.51) POLBNEK2TSHR
SCHEMBL15943284 0.65 POLB (0.49) POLBNEK2TSHR
SCHEMBL951763 0.65 POLB (0.46) TDP2POLBNEK2TSHR
SCHEMBL950735 0.63 GCGR (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 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 (2 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-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS SLC1A1, SLC1A5, SLC6A5 TDP2 4155/4885POLB 3454/4885NEK2 3028/4885
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 TDP2 551/4885POLB 4489/4885NEK2 4115/4885

“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.