SCHEMBL16675958

SCHEMBL16675958

CC(C)(O)CN/C(=N/C(=O)C1Cc2ccc(F)cc2C1)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.43
GSK3A P49840 3/20 0.40
CYP1A2 P05177 2/20 0.37
AAK1 Q2M2I8 4/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAK O14976 1/20 0.35
STK16 O75716 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
TRPA1 O75762 1/20 0.35
PIK3CD O00329 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 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
SCHEMBL16675945 0.81 GSK3B (0.44) GSK3BGSK3ACYP1A2AAK1HDAC6
SCHEMBL16752833 0.81 HDAC6 (0.45) GSK3BCYP1A2MAPK8MAPK10HDAC1
SCHEMBL16752836 0.81 HDAC6 (0.45) GSK3BCYP1A2MAPK8MAPK10HDAC1
SCHEMBL16769264 0.81 HDAC6 (0.45) GSK3BCYP1A2MAPK8MAPK10HDAC1
SCHEMBL19976787 0.78 HDAC6 (0.43) GSK3BGSK3ACYP1A2MAPK8MAPK10
SCHEMBL16675951 0.76 GSK3B (0.48) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL19976886 0.75 GSK3B (0.43) GSK3BGSK3ACYP1A2HDAC6
SCHEMBL16675937 0.75 GSK3B (0.51) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL18556952 0.75 GSK3B (0.46) GSK3BMAPK8MAPK10HDAC1HDAC2
SCHEMBL16675941 0.75 GSK3B (0.48) GSK3BCYP1A2HDAC1HDAC2HDAC8

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 4407/4885GSK3A 4056/4885CYP1A2 2648/4885

“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.