SCHEMBL6756952

SCHEMBL6756952

Cc1ncc(-c2cccc(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3C(F)(F)F)c2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FYN P06241 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
CDK8 P49336 1/20 0.41
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL6756953 1.00 MAOB (0.46) MAOBGSK3BDYRK1ALMNAMAPT
Hydrochloric Acid SCHEMBL7457576 0.89 MAOB (0.58) MAOBGSK3BDYRK1ALMNAMAPT
Hydrochloric Acid SCHEMBL7457570 0.89 MAOB (0.58) MAOBGSK3BDYRK1ALMNAMAPT
SCHEMBL6754391 0.87 MAOB (0.58) MAOBGSK3BDYRK1ALMNAMAPT
SCHEMBL6754387 0.87 MAOB (0.58) MAOBGSK3BDYRK1ALMNAMAPT
SCHEMBL6756783 0.81 DYRK1A (0.48) MAOBGSK3BDYRK1ALMNAMAPT
SCHEMBL6756786 0.81 DYRK1A (0.48) MAOBGSK3BDYRK1ALMNAMAPT
SCHEMBL6756795 0.79 MAPT (0.56) MAOBGSK3BDYRK1AMAPTMEN1
SCHEMBL6756792 0.79 MAPT (0.56) MAOBGSK3BDYRK1AMAPTMEN1
SCHEMBL6760171 0.79 DYRK1A (0.48) MAOBGSK3BDYRK1AMAPTMEN1

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 MAOB 1077/4885GSK3B 4671/4885DYRK1A 3409/4885

“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.