SCHEMBL16675954

SCHEMBL16675954

COCC(C)N/C(=N/C(=O)C1CCCC1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.45
GSK3B P49841 3/20 0.44
GSK3A P49840 1/20 0.44
MAPK1 P28482 8/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MAP2K4 P45985 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
SCHEMBL16675944 0.99 RIPK1 (0.45) RIPK1GSK3BGSK3AMAPK1HDAC6
SCHEMBL16675949 0.90 GSK3B (0.46) RIPK1GSK3BGSK3AMAPK1MAP2K4
SCHEMBL16675961 0.84 RIPK1 (0.41) RIPK1GSK3BGSK3AMAPK1
SCHEMBL16769268 0.82 MAP2K4 (0.44) RIPK1GSK3BMAPK1HDAC6MAP2K4
SCHEMBL16752817 0.82 MAP2K4 (0.44) RIPK1GSK3BGSK3AMAPK1HDAC6
SCHEMBL16752820 0.82 MAP2K4 (0.44) RIPK1GSK3BGSK3AMAPK1HDAC6
SCHEMBL16752823 0.82 MAP2K4 (0.44) RIPK1GSK3BGSK3AMAPK1HDAC6
SCHEMBL16769269 0.82 MAP2K4 (0.44) RIPK1GSK3BGSK3AMAPK1HDAC6
SCHEMBL16675964 0.81 GSK3B (0.49) GSK3BGSK3AHDAC6
SCHEMBL16675963 0.80 GSK3B (0.48) GSK3BGSK3AHDAC6MAP2K4

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 RIPK1 3768/4885GSK3B 4407/4885GSK3A 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.