SCHEMBL16675965

SCHEMBL16675965

CC(C)(C)N/C(=N/C(=O)CN1CCOCC1)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.47
KDR P35968 2/20 0.41
MDM2 Q00987 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
MOK Q9UQ07 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CLK1 P49759 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 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
SCHEMBL16675955 0.83 GSK3B (0.43) GSK3BKDRMDM2HDAC6MOK
SCHEMBL1461500 0.81 GSK3B (0.61) GSK3BALDH1A1HDAC1HDAC2HDAC8
SCHEMBL16675946 0.79 KDM4E (0.41) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16675932 0.76 EGFR (0.42) GSK3BKDM4E
SCHEMBL16675962 0.74 GSK3B (0.40) GSK3BMAPK1
SCHEMBL6488062 0.74 GSK3B (0.55) GSK3BKDRHDAC6KDM4EHDAC1
SCHEMBL16682133 0.73 EGFR (0.40) POLB
SCHEMBL16682137 0.72 GSK3B (0.50) GSK3BKDRHDAC6HDAC1HDAC2
SCHEMBL16675966 0.72 GSK3B (0.41) GSK3BHDAC6MAPK1
SCHEMBL1461360 0.72 GSK3B (0.65) GSK3BKDRKDM4EALDH1A1HDAC1

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 4407/4885KDR 4756/4885MDM2 4360/4885

“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.