SCHEMBL5402979

SCHEMBL5402979

N=C(N)c1ccc(-c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.54
PRSS1 P07477 1/20 0.54
PLG P00747 4/20 0.53
F2 P00734 2/20 0.49
F10 P00742 2/20 0.49
F7 P08709 2/20 0.49
CHEK2 O96017 1/20 0.46

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
Acetic Acid SCHEMBL6514970 0.93 PLAU (0.51) PLAUPRSS1PLGF2F10
SCHEMBL5394696 0.90 PLAU (0.68) PLAUPRSS1PLGF2F10
SCHEMBL5395887 0.89 PLAU (0.54) PLAUPRSS1PLGF2F10
SCHEMBL7879342 0.87 PLAU (0.65) PLAUPRSS1PLGF2F10
Hydrochloric Acid SCHEMBL11298806 0.87 PLAU (0.65) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6061722 0.84 PLAU (0.63) PLAUPRSS1PLGF2F10
Acetic Acid SCHEMBL6061379 0.84 PLAU (0.51) PLAUPRSS1PLGF2F10
SCHEMBL6505100 0.83 HDAC6 (0.41) PLAUPRSS1PLGCHEK2
SCHEMBL5395912 0.83 PLAU (0.49) PLAUPRSS1PLGF2F10
SCHEMBL23775613 0.82 PLAU (0.48) PLAUPRSS1PLGF2F10

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
JP-2007509176-A 2007-04-12 JP claimed
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP claimed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US claimed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 WO claimed
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP disclosed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US disclosed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 PLAU 4116/4885PRSS1 2474/4885PLG 1455/4885

“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.