SCHEMBL8238376

SCHEMBL8238376

N=C(N)c1ccc(/C=C/c2cc3ccc(C(=N)N)cc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 6/20 0.64
▸ PRMT5 O14744 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ PLAU P00749 4/20 0.52
▸ PLG P00747 2/20 0.52
▸ PLAT P00750 1/20 0.52
▸ KLK1 P06870 1/20 0.52
▸ PRMT3 O60678 1/20 0.49
▸ CARM1 Q86X55 1/20 0.49
▸ EHMT2 Q96KQ7 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ PRMT8 Q9NR22 1/20 0.49
▸ PRMT7 Q9NVM4 1/20 0.49

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
SCHEMBL8238372 0.88 PRMT1 (0.64) PRMT1PRMT5ALDH1A1HPGDCYP2C19
SCHEMBL8235636 0.79 PRMT1 (1.00) PRMT1
Stilbamidine SCHEMBL208655 0.75 PRMT1 (1.00) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Stilbamidine SCHEMBL889782 0.75 PRMT1 (1.00) PRMT1PRMT5ALDH1A1HPGDCYP2C19
Stilbamidine SCHEMBL3932459 0.73 PRMT1 (0.95) PRMT1PRMT5ALDH1A1HPGDCYP2C19
SCHEMBL12348376 0.73 PLG (0.68) PRMT1PRMT5PLAUPLGKLK1
Dapi SCHEMBL235865 0.72 PRMT5 (0.83) PRMT1PRMT5PLAUPLGPRMT3
Dapi SCHEMBL28176609 0.72 PRMT5 (0.83) PRMT1PRMT5PLAUPLGPRMT3
Dapi SCHEMBL29350295 0.72 PRMT5 (0.83) PRMT1PRMT5PLAUPLGPRMT3
Stilbamidine SCHEMBL871695 0.71 PRMT1 (0.91) PRMT1PRMT5ALDH1A1HPGDCYP2C19

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 9 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-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 1502/4885PRMT5 1197/4885ALDH1A1 1028/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRMT1 2768/4885PRMT5 2533/4885ALDH1A1 1333/4885

“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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