SCHEMBL8300739

SCHEMBL8300739

Nc1c(/C=C/c2cc3cc(C4=NCCN4)ccc3o2)[nH]c2cc(C3=NCCN3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 9/20 0.66
▸ PRMT3 O60678 1/20 0.51
▸ EHMT2 Q96KQ7 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.51
▸ PRMT8 Q9NR22 1/20 0.51
▸ NISCH Q9Y2I1 4/20 0.41
▸ TOP2A P11388 1/20 0.37
▸ TOP2B Q02880 1/20 0.37

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
SCHEMBL8235643 0.85 PRMT1 (0.88) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235621 0.85 PRMT1 (0.88) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL12711215 0.81 PRMT1 (0.79) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL20184751 0.80 PRMT1 (1.00) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235629 0.80 PRMT1 (0.86) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL17086965 0.80 PRMT1 (0.76) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8238368 0.80 PRMT1 (0.77) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL12736178 0.77 PRMT1 (0.69) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL20184765 0.76 PRMT1 (0.86) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL8235330 0.76 PRMT1 (1.00) 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
US-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS ROEMER TERRY (US) 2013-08-08 — — US disclosed
US-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS ROEMER TERRY (US) 2013-08-08 — — 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-7574340-B2 Small molecules and a pharmacophore model for inhibition of botulinum toxin and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-08-11 — — US disclosed
US-7574340-B2 Small molecules and a pharmacophore model for inhibition of botulinum toxin and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-08-11 — — US disclosed
WO-2005026193-A2 SMALL MOLECULES AND A PHARMACOPHORE MODEL FOR INHIBITION OF BOTULINUM TOXIN AND METHODS OF MAKING AND USING THEREOF UNITED STATES ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2005-03-24 — — 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 (1 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-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS RCE1, POLE3, MCRS1 PRMT1 457/4885PRMT3 738/4885EHMT2 3183/4885

“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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