SCHEMBL2176700

SCHEMBL2176700

CCCCCOc1ccn(Cc2cc(OCCO)ccc2Cl)c(=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P4HB P07237 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2175502 0.92 L3MBTL1 (0.47) L3MBTL1MAPK14KDM4EALDH1A1GAA
SCHEMBL2176101 0.91 L3MBTL1 (0.46) L3MBTL1MAPK14GAA
SCHEMBL2175649 0.90 L3MBTL1 (0.45) L3MBTL1MAPK14GAA
SCHEMBL2179134 0.89 L3MBTL1 (0.44) L3MBTL1MAPK14GAA
SCHEMBL2177999 0.85 TSHR (0.44) L3MBTL1MAPK14
SCHEMBL2179154 0.84 MAPK14 (0.49) MAPK14
SCHEMBL2175989 0.83 PPARG (0.39) L3MBTL1MAPK14
SCHEMBL2174955 0.82 SMN1; SMN2 (0.42) L3MBTL1ALDH1A1
SCHEMBL2176810 0.82 CYP19A1 (0.43) KDM4EALDH1A1
SCHEMBL2180131 0.81 MAPK14 (0.41) MAPK14

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 L3MBTL1 2829/4885MAPK14 1791/4885KDM4E 3785/4885

“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.