SCHEMBL2176423

SCHEMBL2176423

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
APP P05067 1/20 0.41
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
CTSD P07339 1/20 0.37
MAPK14 Q16539 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34

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 0.95 BACE1 (0.42) BACE1BACE2APPTP53GAA
SCHEMBL2179508 0.90 BACE1 (0.35) BACE1BACE2APPCTSDMAPK14
SCHEMBL2175961 0.89 THRB (0.40) MAPK14THRBL3MBTL1
SCHEMBL2175178 0.87 MAPK14 (0.39) MAPK14THRBL3MBTL1NPC1RAB9A
SCHEMBL2178391 0.85 MTNR1A (0.39) BACE1BACE2APPMAPK14CNR2
SCHEMBL2176194 0.81 MAPK14 (0.40) MAPK14
SCHEMBL2177594 0.80 SMPD1 (0.37) BACE1BACE2APPGAAMEN1
SCHEMBL2178973 0.80 MTNR1A (0.39) BACE1BACE2APPCNR2CNR1
SCHEMBL2178780 0.79 POLB (0.49) MAPK14
SCHEMBL2177554 0.79 MAPK14 (0.39) MAPK14THRBL3MBTL1

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 1232/4885APP 1687/4885

“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.