SCHEMBL8235372

SCHEMBL8235372

CC(C)(C)Oc1ccc(C(=N)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
ST14 Q9Y5Y6 4/20 0.59
F2 P00734 4/20 0.59
PLAU P00749 2/20 0.59
TMPRSS2 O15393 2/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PRMT1 Q99873 3/20 0.50
F10 P00742 2/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50

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
SCHEMBL8235355 0.81 PRSS1 (0.38) PRSS1PRSS2PRSS3ST14F2
SCHEMBL12348104 0.80 PRSS1 (0.52) PRSS1PRSS2PRSS3ST14F2
SCHEMBL11708120 0.80 ITGB3 (0.76) PRSS1PRSS2PRSS3ST14F2
SCHEMBL23902213 0.79 PRSS1 (0.74) PRSS1PRSS2PRSS3ST14F2
SCHEMBL429697 0.79 ST14 (0.59) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7769325 0.79 PARP10 (0.61)
SCHEMBL4310236 0.79 PRSS1 (0.59) PRSS1PRSS2PRSS3ST14F2
SCHEMBL15145313 0.78 PRSS1 (0.50) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL1550092 0.78 ST14 (0.57) PRSS1PRSS2PRSS3ST14F2
SCHEMBL12348155 0.77 PRSS1 (0.49) PRSS1PRSS2PRSS3ST14F2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L PRSS1 548/4885PRSS2 558/4885PRSS3 568/4885
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 PRSS1 78/4885PRSS2 151/4885PRSS3 125/4885

“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.