SCHEMBL3994044

SCHEMBL3994044

CC(C)NC(N)=NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSK P43235 5/20 0.35
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
NOS1 P29475 2/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28235928 0.83 MMP1 (0.36) CA1CA2CA7CTSKCA12
SCHEMBL28705194 0.79 DGAT1 (0.34) CA2TSHRLMNACYP3A4NFKB1
SCHEMBL6379683 0.79 DGAT1 (0.34) CTSKTSHRTDP1DGAT1NOS1
SCHEMBL26288046 0.77 TSHR (0.37) CTSKTSHRRAB9ACA12CA14
SCHEMBL23746404 0.77 DGAT1 (0.42) CA12CA14DGAT1
SCHEMBL3808762 0.77 CRBN (0.34) CTSKDGAT1
SCHEMBL3808765 0.77 CRBN (0.34) CTSKDGAT1
SCHEMBL17348031 0.76 DGAT1 (0.33) LMNADGAT1
SCHEMBL601562 0.76 MAOA (0.36) CA1CA2CA7CTSKNFKB1
SCHEMBL3728300 0.76 MAOA (0.36) CA1CA2CA7CTSKNFKB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686990-B1 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2012-09-19 EP claimed
EP-1686990-A4 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2009-06-03 EP claimed
US-7101902-B2 2-guanidinylimidazolidinedione compounds and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-09-05 US claimed
EP-1686990-A2 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2006-08-09 EP claimed
WO-2005072082-A2 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-08-11 WO claimed
US-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof ARMY, UNITED STATES 2005-07-07 US claimed
EP-1686990-B1 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2012-09-19 EP disclosed
EP-1686990-A4 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2009-06-03 EP disclosed
US-7101902-B2 2-guanidinylimidazolidinedione compounds and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-09-05 US disclosed
EP-1686990-A2 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2006-08-09 EP disclosed
WO-2005072082-A2 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-08-11 WO disclosed
US-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof ARMY, UNITED STATES 2005-07-07 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-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof GUCY1B2, GUCY1A2, AGK CA1 4807/4885CA2 2497/4885CA7 3608/4885

“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.