SCHEMBL6829927

SCHEMBL6829927

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
CNR2 P34972 2/20 0.36
CYP2C19 P33261 1/20 0.35
PTPRC P08575 1/20 0.35
ALOX12 P18054 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6826754 0.79 LMNA (0.50) GAALMNAPTGS1SMN1; SMN2CTNNB1
SCHEMBL9819057 0.74 PTGS1 (0.46) GAALMNAPTGS1HTTSMN1; SMN2
SCHEMBL9639477 0.72 CES2 (0.45) GAALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL2489145 0.71 LMNA (0.49) GAALMNAPTGS1SMN1; SMN2CTNNB1
SCHEMBL118007 0.70 LMNA (0.60) GAALMNAPTGS1ALDH1A1SMN1; SMN2
SCHEMBL2366082 0.70 LMNA (0.50) GAALMNAPTGS1ALDH1A1CTNNB1
SCHEMBL27535691 0.70 LMNA (0.60) GAALMNAPTGS1ALDH1A1SMN1; SMN2
SCHEMBL3396782 0.70 LMNA (0.55) GAALMNAPTGS1SMN1; SMN2CTNNB1
SCHEMBL10137791 0.70 LMNA (0.55) GAALMNAPTGS1ALDH1A1CTNNB1
SCHEMBL9579838 0.70 LMNA (0.55) GAALMNAPTGS1SMN1; SMN2CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1489577-A Cyanothioacetamide derivatives and process for preparing same �ձ�������ʽ���� 2004-04-14 CN disclosed
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 GAA 1892/4885LMNA 2845/4885PTGS1 544/4885

“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.