SCHEMBL16675936

SCHEMBL16675936

COCC(C)N/C(=N/C(=O)Cc1cccc(Cl)c1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.41
HPGD P15428 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
GSK3B P49841 4/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAP2K4 P45985 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL16752823 0.79 MAP2K4 (0.44) MAPK1RIPK1GSK3BHDAC6CYP1A2
SCHEMBL16752817 0.79 MAP2K4 (0.44) MAPK1RIPK1GSK3BHDAC6CYP1A2
SCHEMBL16769269 0.79 MAP2K4 (0.44) MAPK1RIPK1GSK3BHDAC6CYP1A2
SCHEMBL16752820 0.79 MAP2K4 (0.44) MAPK1RIPK1GSK3BHDAC6CYP1A2
SCHEMBL16769268 0.79 MAP2K4 (0.44) MAPK1RIPK1GSK3BHDAC6CYP1A2
SCHEMBL16675935 0.79 GSK3B (0.49) MAPK1HPGDGSK3BHDAC1HDAC2
SCHEMBL16675914 0.79 NPC1 (0.47) MAPK1HPGD
SCHEMBL16675954 0.78 RIPK1 (0.45) MAPK1RIPK1GSK3BHDAC6MAP2K4
SCHEMBL16752828 0.78 GSK3B (0.51) MAPK1GSK3B
SCHEMBL16752826 0.78 GSK3B (0.51) MAPK1GSK3B

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 MAPK1 3291/4885HPGD 888/4885MAPK8 3282/4885

“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.