SCHEMBL2179508

SCHEMBL2179508

CCCCCOc1ccn(Cc2c(Cl)ccc(NCCCN)c2Cl)c(=O)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
CTSD P07339 1/20 0.35
MAPK14 Q16539 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL2174675 0.91 BACE1 (0.42) BACE1BACE2CTSDMAPK14L3MBTL1
SCHEMBL2176423 0.90 BACE1 (0.41) BACE1BACE2CTSDMAPK14L3MBTL1
SCHEMBL2175961 0.88 THRB (0.40) MAPK14L3MBTL1THRB
SCHEMBL2175178 0.86 MAPK14 (0.39) MAPK14L3MBTL1THRB
SCHEMBL2176194 0.82 MAPK14 (0.40) MAPK14
SCHEMBL2178780 0.78 POLB (0.49) MAPK14
SCHEMBL2177554 0.78 MAPK14 (0.39) MAPK14L3MBTL1THRB
SCHEMBL2179134 0.76 L3MBTL1 (0.44) MAPK14L3MBTL1
SCHEMBL2179780 0.76 PKM (0.48) MAPK14L3MBTL1
SCHEMBL2178391 0.74 MTNR1A (0.39) BACE1BACE2MAPK14APP

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
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT BACE1 859/4885BACE2 1232/4885CTSD 374/4885

“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.