SCHEMBL8229699

SCHEMBL8229699

N=C(N)c1ccc2oc(/C=C/C=C/C=C/c3cc4cc(C(=N)N)ccc4o3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 10/20 0.86
▸ F2 P00734 3/20 0.56
▸ F10 P00742 2/20 0.56
▸ TPSAB1 Q15661 1/20 0.46
▸ TPSD1 Q9BZJ3 1/20 0.46
▸ TPSG1 Q9NRR2 1/20 0.46
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ PLAT P00750 1/20 0.44
▸ PRSS1 P07477 1/20 0.44

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
SCHEMBL8229718 0.98 PRMT1 (0.89) PRMT1F2F10TPSAB1TPSD1
SCHEMBL17084488 0.92 PRMT1 (0.88) PRMT1F2F10TPSAB1TPSD1
SCHEMBL7979972 0.92 PRMT1 (0.88) PRMT1F2F10TPSAB1TPSD1
SCHEMBL8815310 0.92 PRMT1 (0.88) PRMT1F2F10TPSAB1TPSD1
SCHEMBL20184763 0.91 PRMT1 (1.00) PRMT1F2F10PLGPLAU
SCHEMBL8422599 0.86 PRMT1 (0.70) PRMT1F2F10TPSAB1TPSD1
SCHEMBL12412056 0.86 PRMT1 (1.00) PRMT1F2F10TPSAB1TPSD1
SCHEMBL20184755 0.85 PRMT1 (1.00) PRMT1F2F10PLGPLAU
SCHEMBL12711172 0.82 PRMT1 (0.65) PRMT1F2F10TPSAB1TPSD1
SCHEMBL12711180 0.82 PRMT1 (0.63) PRMT1F2F10

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 7 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-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-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 1502/4885F2 578/4885F10 672/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRMT1 2768/4885F2 521/4885F10 484/4885

“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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