SCHEMBL16682172

SCHEMBL16682172

CC(C)(O)CN/C(=N/C(=O)Cc1ccc(C(F)(F)F)cc1)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.47
HDAC6 Q9UBN7 4/20 0.43
TRPA1 O75762 1/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
KIT P10721 1/20 0.37
MAPK1 P28482 1/20 0.37
DYRK1A Q13627 1/20 0.37
SNCA P37840 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
SCHEMBL16675959 0.91 GSK3B (0.48) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL16675941 0.91 GSK3B (0.48) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL16675937 0.81 GSK3B (0.51) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL16675947 0.79 GSK3B (0.44) GSK3BMAPK1DYRK1A
SCHEMBL16682168 0.78 P2RX7 (0.37) GSK3BMAPK1
SCHEMBL19976888 0.77 GSK3B (0.51) GSK3BHDAC6TRPA1HDAC1HDAC2
SCHEMBL16675951 0.77 GSK3B (0.48) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL16769264 0.76 HDAC6 (0.45) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL16752836 0.76 HDAC6 (0.45) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL16752833 0.76 HDAC6 (0.45) GSK3BHDAC6HDAC1HDAC2HDAC8

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 2 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-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 4407/4885HDAC6 306/4885TRPA1 4248/4885

“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.