SCHEMBL8229715

SCHEMBL8229715

C(=C/c1cc2ccc(C3=NCCN3)cc2o1)\c1cc2cc(C3=NCCN3)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 12/20 1.00
▸ NISCH Q9Y2I1 3/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ PRMT8 Q9NR22 1/20 0.45
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39

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
SCHEMBL8235629 0.92 PRMT1 (0.86) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL20184764 0.92 PRMT1 (1.00) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL12735725 0.89 PRMT1 (0.79) PRMT1
SCHEMBL8235330 0.87 PRMT1 (1.00) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL8425061 0.83 PRMT1 (0.71) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL20184762 0.80 PRMT1 (0.81) PRMT1NISCH
SCHEMBL8235643 0.80 PRMT1 (0.88) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL8235621 0.80 PRMT1 (0.88) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL8235649 0.78 PRMT1 (1.00) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL12711215 0.75 PRMT1 (0.79) PRMT1NISCHPRMT3EHMT2PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 — — EP disclosed
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 — — US disclosed
US-7825154-B2 Small molecule inhibitors of botulinum neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-11-02 — — US disclosed
US-7825154-B2 Small molecule inhibitors of botulinum neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-11-02 — — US disclosed
US-7781183-B2 Inhibition of anthrax lethal factor protease THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-08-24 — — US disclosed
US-7781183-B2 Inhibition of anthrax lethal factor protease THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-08-24 — — US disclosed
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ARMY, UNITED STATES 2007-05-17 — — US disclosed
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ARMY, UNITED STATES 2007-05-17 — — 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 (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-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ACHE, CTRL, MMP2 PRMT1 1502/4885NISCH 181/4885PRMT3 1229/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRMT1 2768/4885NISCH 268/4885PRMT3 2069/4885

“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.

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