SCHEMBL3875680

SCHEMBL3875680

N=C(N)c1ccc(NCCNc2ccc(C(=N)N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.84
F2 P00734 3/20 0.81
PRSS2 P07478 3/20 0.81
PRSS3 P35030 3/20 0.81
TMPRSS6 Q8IU80 3/20 0.81
ST14 Q9Y5Y6 3/20 0.81
F10 P00742 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
LMNA P02545 1/20 0.50
KLK1 P06870 1/20 0.50
KLK5 Q9Y337 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
SCHEMBL5524345 0.91 PRSS1 (1.00) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL12461511 0.90 PRSS1 (0.82) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17515720 0.90 PRSS1 (0.75) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL1714389 0.89 PRSS1 (0.83) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3667557 0.88 PRSS1 (0.72) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL12348324 0.86 PRSS1 (0.70) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL14367460 0.85 PRSS1 (0.86) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL15145978 0.85 PRSS1 (0.68) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL5623902 0.83 PRSS1 (0.86) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL20001656 0.83 PRSS1 (0.66) PRSS1F2PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116236-A1 Bisbenzamidine derivatives for use as antioxidant Université de Mons-Hainaut (BE) 2009-11-11 EP claimed
EP-2116236-A1 Bisbenzamidine derivatives for use as antioxidant Université de Mons-Hainaut (BE) 2009-11-11 EP disclosed
EP-2116236-A1 Bisbenzamidine derivatives for use as antioxidant Université de Mons-Hainaut (BE) 2009-11-11 EP disclosed
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 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 (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-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN PRSS1 2062/4885F2 3712/4885PRSS2 1749/4885

“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.