SCHEMBL16675946

SCHEMBL16675946

CC(C)CN/C(=N/C(=O)CN1CCOCC1)Nc1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DYRK1A Q13627 3/20 0.40
MCHR1 Q99705 4/20 0.38
MAPK1 P28482 3/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ALPL P05186 1/20 0.37
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CDK2 P24941 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CLK1 P49759 1/20 0.37
MAPT P10636 1/20 0.37

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 0.79 GSK3B (0.47) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL16675910 0.77 AURKA (0.41) MAPK1MAPTTSHR
SCHEMBL16675955 0.75 GSK3B (0.43) DYRK1AGSK3B
SCHEMBL16682131 0.74 WDR5 (0.37) MAPK1POLBMAPTTSHR
SCHEMBL1461500 0.72 GSK3B (0.61) ALDH1A1MAPK1GSK3BKMT2AMEN1
SCHEMBL19976961 0.70 GSK3B (0.50) DYRK1AGSK3BCDK2
SCHEMBL16675957 0.69 GSK3B (0.44) DYRK1AMAPK1GSK3B
SCHEMBL19976776 0.69 GSK3B (0.48) DYRK1AMAPK1GSK3B
SCHEMBL19976866 0.67 DYRK1A (0.42) DYRK1AMAPK1GSK3BCDK8CDK1
SCHEMBL15484446 0.67 GSK3B (0.52) DYRK1AMAPK1GSK3B

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 KDM4E 1499/4885ALDH1A1 2346/4885HPGD 888/4885

“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.