SCHEMBL3589175

SCHEMBL3589175

NC(N)=NN1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CHKA P35790 1/20 0.30

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
SCHEMBL4985800 0.75
SCHEMBL3913614 0.73 GNAI3 (0.33)
SCHEMBL4986702 0.72 LMNA (0.39)
Iodide SCHEMBL29124171 0.72 LMNA (0.34)
Hydrochloric Acid SCHEMBL28556911 0.70 LMNA (0.38)
SCHEMBL25720922 0.69
SCHEMBL4984203 0.68 FAAH (0.31)
SCHEMBL14450380 0.67
SCHEMBL8441641 0.63
SCHEMBL14881405 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012149093-A1 2-GUANIDINO-4-OXO-IMIDAZOLINE DERIVATIVES AS ANTIMALARIAL AGENTS, SYNTHESIS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF ARMY (US) 2012-11-01 WO disclosed
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
CN-101362725-B Method for preparing tetramethylpyrazine guanidine derivatives and application thereof UNIV SHANDONG 2010-07-21 CN disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
CN-101362725-A Method for preparing tetramethylpyrazine guanidine derivatives and application thereof UNIV SHANDONG (CN) 2009-02-11 CN disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 US disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO 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 (2 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-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A CA2 1051/4885CA12 1516/4885CA1 3339/4885
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A CA2 1051/4885CA12 1516/4885CA1 3339/4885

“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.