SCHEMBL6826754

SCHEMBL6826754

N#CC(C#N)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CTNNB1 P35222 5/20 0.42
WNT3A P56704 5/20 0.42
CNR2 P34972 2/20 0.41
PTPRC P08575 1/20 0.40
PTGS1 P23219 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL6829927 0.79 GAA (0.43) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL29000829 0.77 CES2 (0.53) LMNAGAASMN1; SMN2
SCHEMBL10137791 0.77 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL3396782 0.77 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL9579838 0.77 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL27558560 0.75 GAA (0.45) LMNAGAACNR2
SCHEMBL29256271 0.75 LMNA (0.53) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL4710154 0.75 LMNA (0.53) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL13558725 0.74 RAPGEF3 (0.40) LMNAGAAKCNK3KCNK9
SCHEMBL2026595 0.74 LMNA (0.42) LMNAGAAPTPRCKCNK3KCNK9

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-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NIPPON SODA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1367049-A1 CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 2003-12-03 EP 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-20040059122-A1 Cyanothioacetamide derivative and process for producing the same NAT1, ACAA2, ACAT2 LMNA 2845/4885GAA 1892/4885CTNNB1 4527/4885

“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.