SCHEMBL16675934

SCHEMBL16675934

Cc1ccc2c(N/C(=N\C(=O)CC3COC3)Nc3cc(F)cc(Cl)c3)n[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.39
CYP1A2 P05177 3/20 0.39
GSK3A P49840 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
ACHE P22303 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL16675953 0.92 GSK3B (0.39) GSK3BCYP1A2GSK3AACHEAAK1
SCHEMBL16682116 0.89 GSK3B (0.44) GSK3BCYP1A2GSK3AHDAC6ACHE
SCHEMBL16682170 0.81 GSK3B (0.43) GSK3BCYP1A2GSK3AHDAC6ACHE
SCHEMBL16675966 0.81 GSK3B (0.41) GSK3BCYP1A2GSK3AHDAC6AAK1
SCHEMBL16675906 0.81 NPC1 (0.36) CYP1A2
SCHEMBL16675955 0.76 GSK3B (0.43) GSK3BCYP1A2HDAC6
SCHEMBL16682165 0.76 CYP2D6 (0.46)
SCHEMBL16675942 0.74 GSK3B (0.48) GSK3BCYP1A2GSK3AAAK1
SCHEMBL16675938 0.73 GSK3B (0.48) GSK3BCYP1A2GSK3AAAK1
SCHEMBL16675962 0.73 GSK3B (0.40) GSK3BCYP1A2GSK3AAAK1

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C GSK3B 4407/4885CYP1A2 2648/4885GSK3A 4056/4885

“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.