SCHEMBL16675955

SCHEMBL16675955

O=C(CN1CCOCC1)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.43
KDR P35968 1/20 0.40
MAP4K4 O95819 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPSE Q9Y251 1/20 0.37
TRPA1 O75762 1/20 0.37
NTRK1 P04629 2/20 0.37
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MDM2 Q00987 2/20 0.36
MDM4 O15151 1/20 0.36
ATM Q13315 1/20 0.36
MOK Q9UQ07 1/20 0.36

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
SCHEMBL16675965 0.83 GSK3B (0.47) GSK3BKDRHDAC6MDM2MOK
SCHEMBL16675909 0.80 PAK4 (0.39) MAP4K4NTRK1PLK4PAK4TBK1
SCHEMBL16675953 0.78 GSK3B (0.39) GSK3BKDRCYP1A2
SCHEMBL16682108 0.78 CYP2D6 (0.44) KDRMAP4K4NTRK1PLK4PAK4
SCHEMBL1461500 0.78 GSK3B (0.61) GSK3BHPSE
SCHEMBL16682170 0.77 GSK3B (0.43) GSK3BKDRCYP1A2TRPA1HDAC6
SCHEMBL16675934 0.76 GSK3B (0.39) GSK3BCYP1A2HDAC6
SCHEMBL16682116 0.75 GSK3B (0.44) GSK3BCYP1A2TRPA1HDAC6
SCHEMBL16675946 0.75 KDM4E (0.41) GSK3BDYRK1A
SCHEMBL16675942 0.72 GSK3B (0.48) GSK3BCYP1A2

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 4 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-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
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 4407/4885KDR 4756/4885MAP4K4 3151/4885

“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.