SCHEMBL6509654

SCHEMBL6509654

NCCCNCCCN1CCC/C=C\CCCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.44
ACE2 Q9BYF1 1/20 0.43
HRH3 Q9Y5N1 2/20 0.39
KDM1A O60341 1/20 0.39
CASP2 P42575 2/20 0.38
CA12 O43570 2/20 0.38
F13A1 P00488 2/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
THPO P40225 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL15295963 1.00 SCN5A (0.44) SCN5AACE2HRH3KDM1ACASP2
Motuporamine C SCHEMBL6511891 0.98 SCN5A (0.46) SCN5AACE2HRH3KDM1ACASP2
Motuporamine C SCHEMBL187465 0.98 SCN5A (0.46) SCN5AACE2HRH3KDM1ACASP2
SCHEMBL6505149 0.94 SCN5A (0.43) SCN5AACE2HRH3KDM1ACASP2
SCHEMBL6510779 0.88 ACE2 (0.54) SCN5AACE2HRH3KDM1ACASP2
SCHEMBL4361290 0.88 ACE2 (0.54) SCN5AACE2HRH3KDM1ACASP2
SCHEMBL15295964 0.88 ACE2 (0.54) SCN5AACE2HRH3KDM1ACASP2
SCHEMBL6506342 0.88 ACE2 (0.54) SCN5AACE2HRH3KDM1ACASP2
SCHEMBL10939162 0.86 ACE2 (0.56) SCN5AACE2HRH3CASP2CA12
SCHEMBL10936965 0.83 ACE2 (0.57) SCN5AACE2HRH3CASP2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004149-A1 Antiangiogenic compounds and an assay for inhibitors of cell invasion UNIVERSITY OF BRITISH COLUMBIA, THE (CA) 2003-01-02 US claimed
US-20050222126-A1 Antiangiogenic compounds and an assay for inhibitors of cell invasion THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2005-10-06 US disclosed
EP-1355893-A2 ANTIANGIOGENIC COMPOUNDS AND AN ASSAY FOR INHIBITORS OF CELL INVASION The University of British Columbia (CA) 2003-10-29 EP disclosed
US-20030004149-A1 Antiangiogenic compounds and an assay for inhibitors of cell invasion UNIVERSITY OF BRITISH COLUMBIA, THE (CA) 2003-01-02 US disclosed
WO-2002058679-A2 ANTIANGIOGENIC COMPOUNDS AND AN ASSAY FOR INHIBITORS OF CELL INVASION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2002-08-01 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 (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-20030004149-A1 Antiangiogenic compounds and an assay for inhibitors of cell invasion MKI67, FLT4, DCX SCN5A 4193/4885ACE2 3397/4885HRH3 1274/4885
US-20050222126-A1 Antiangiogenic compounds and an assay for inhibitors of cell invasion MKI67, FLT4, DCX SCN5A 4193/4885ACE2 3397/4885HRH3 1274/4885

“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.