SCHEMBL5516545

SCHEMBL5516545

N#Cc1ccc(NCCCCNc2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PRSS1 P07477 5/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
GAA P10253 2/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
F2 P00734 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
CYP1B1 Q16678 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP2A6 P11509 1/20 0.41
IDO1 P14902 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL6418566 0.98 PRSS1 (0.46) ALDH1A1MAPTPRSS1CA1CA2
SCHEMBL5712390 0.98 PRSS1 (0.46) ALDH1A1MAPTPRSS1CA1CA2
SCHEMBL5712397 0.98 PRSS1 (0.46) ALDH1A1MAPTPRSS1CA1CA2
SCHEMBL31475206 0.90 ALDH1A1 (0.50) ALDH1A1PRSS1CA2SAE1UBA2
SCHEMBL11500089 0.90 MGLL (0.50) LOXL2GAAABCG2CYP2A6
SCHEMBL23961158 0.89 ALDH1A1 (0.49) ALDH1A1PRSS1SAE1UBA2F2
SCHEMBL11475163 0.89 MGLL (0.52) LOXL2GAAABCG2CYP2A6
SCHEMBL11465958 0.89 MGLL (0.52) LOXL2GAAABCG2CYP2A6
SCHEMBL5283982 0.89 MGLL (0.52) LOXL2GAAABCG2CYP2A6
SCHEMBL11177848 0.89 ALDH1A1 (0.49) ALDH1A1PRSS1SAE1UBA2F2

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-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
EP-1715857-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2006-11-02 EP disclosed
EP-1572129-A2 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-14 EP disclosed
WO-2005079780-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-09-01 WO disclosed
US-20040147531-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-07-29 US disclosed
EP-1420773-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2004-05-26 EP disclosed
US-20040006092-A1 Amidine derivatives for treating amyloidosis NEUROCHEM, INC. (CA) 2004-01-08 US disclosed
WO-2003103598-A2 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-12-18 WO disclosed
WO-2003017994-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-03-06 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 (3 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-20040147531-A1 Amidine derivatives for treating amyloidosis APP, IAPP, HTT ALDH1A1 2054/4885MAPT 11/4885PRSS1 1919/4885
US-20040006092-A1 Amidine derivatives for treating amyloidosis APP, IAPP, HTT ALDH1A1 2054/4885MAPT 11/4885PRSS1 1919/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN ALDH1A1 2283/4885MAPT 10/4885PRSS1 2062/4885

“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.