SCHEMBL8235616

SCHEMBL8235616

C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\c1ccc2cc(C3=NCCN3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 10/20 0.80
▸ PRMT3 O60678 1/20 0.52
▸ EHMT2 Q96KQ7 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ PRMT8 Q9NR22 1/20 0.52

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
SCHEMBL20184759 0.89 PRMT1 (1.00) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235649 0.88 PRMT1 (1.00) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8238362 0.83 PRMT1 (1.00) PRMT1
SCHEMBL14535010 0.83 PRMT1 (0.70) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8229714 0.81 PRMT1 (0.71) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8238119 0.80 PRMT1 (0.69) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL20184762 0.80 PRMT1 (0.81) PRMT1
SCHEMBL362453 0.79 PRMT1 (0.68) PRMT1PRMT3EHMT2PRMT6PRMT8
Hydrochloric Acid SCHEMBL3383477 0.78 PRMT1 (0.66) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL14816979 0.77 PRMT1 (0.65) PRMT1PRMT3EHMT2PRMT6PRMT8

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 1502/4885PRMT3 1229/4885EHMT2 4321/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRMT1 2768/4885PRMT3 2069/4885EHMT2 4668/4885

“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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