SCHEMBL2177594

SCHEMBL2177594

CCCCCOc1ccn(Cc2cc(OC)c(NCCO)cc2Cl)c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
APP P05067 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2176994 0.94 TLR7 (0.37) TLR7
SCHEMBL2177447 0.91 MAPK14 (0.36) TLR7TRPV1MEN1GAAKMT2A
SCHEMBL2178938 0.88 MAPK14 (0.37) MEN1GAAKMT2A
SCHEMBL2177962 0.86 GAA (0.41) MEN1GAAKMT2A
SCHEMBL2178391 0.82 MTNR1A (0.39) APPBACE1BACE2CNR2
SCHEMBL2179363 0.82 MAPK14 (0.38)
SCHEMBL2176423 0.80 BACE1 (0.41) APPBACE1BACE2MEN1GAA
SCHEMBL2178809 0.80 THRA (0.37) TLR7
SCHEMBL2178973 0.79 MTNR1A (0.39) SMPD1APPBACE1BACE2CNR2
SCHEMBL2176889 0.79 LMNA (0.39) KMT2A

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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US 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 SMPD1 1121/4885TLR7 3515/4885APP 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.