SCHEMBL8235286

SCHEMBL8235286

CC(C)(C)c1cc2ccc(C3=NCCN3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 6/20 0.63
▸ NISCH Q9Y2I1 4/20 0.56
▸ HTR1D P28221 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ PRMT3 O60678 1/20 0.51
▸ EHMT2 Q96KQ7 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.51
▸ PRMT8 Q9NR22 1/20 0.51

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
SCHEMBL20198570 0.84 PRMT1 (0.68) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL8229714 0.81 PRMT1 (0.71) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL8238119 0.80 PRMT1 (0.69) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL362453 0.78 PRMT1 (0.68) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL10125964 0.78 PRMT1 (0.63) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL8235649 0.77 PRMT1 (1.00) PRMT1NISCHPRMT3EHMT2PRMT6
Hydrochloric Acid SCHEMBL3383477 0.77 PRMT1 (0.66) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL14535010 0.77 PRMT1 (0.70) PRMT1NISCHPRMT3EHMT2PRMT6
SCHEMBL14865430 0.76 NISCH (0.79) PRMT1NISCH
SCHEMBL13135587 0.75 NISCH (0.86) PRMT1NISCH

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
US-8207209-B2 Methods of inhibiting viral infection FUNCTIONAL GENETICS, INC. (US) 2012-06-26 — — US disclosed
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof AMAN MOHAMMAD JAVAD (US) 2012-02-09 — — US disclosed
US-7999001-B2 Antiviral compounds and methods of using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-08-16 — — 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-20090170890-A1 METHOHDS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS, INC. (US) 2009-07-02 — — US disclosed
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 — — US disclosed
US-20070112048-A1 Broad Spectrum Antibacterial Compounds U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 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 (6 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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L PRMT1 1610/4885NISCH 91/4885HTR1D 4757/4885
US-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO PRMT1 2817/4885NISCH 33/4885HTR1D 4103/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L PRMT1 1610/4885NISCH 91/4885HTR1D 4757/4885
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 181/4885HTR1D 1048/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRMT1 2768/4885NISCH 268/4885HTR1D 1867/4885
US-20090170890-A1 METHOHDS OF INHIBITING VIRAL INFECTION CASP8, CASP1, CASP3 PRMT1 532/4885NISCH 1324/4885HTR1D 554/4885

“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.

Send feedback