SCHEMBL2176108

SCHEMBL2176108

CCCCCOc1ccn(Cc2c(Cl)cc(N)c(OC)c2[N+](=O)[O-])c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPK14 Q16539 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32

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
SCHEMBL2177206 0.87 MAPK14 (0.37) MAPK14TSHRTHRBTHRA
SCHEMBL2176194 0.76 MAPK14 (0.40) MAPK14TSHR
SCHEMBL2179363 0.76 MAPK14 (0.38) MAPK14
SCHEMBL2176889 0.75 LMNA (0.39) MAPT
SCHEMBL2178780 0.75 POLB (0.49) MAPK14TSHR
SCHEMBL2176810 0.74 CYP19A1 (0.43) MAPTHPGD
SCHEMBL2177877 0.73 MAPK14 (0.39) MAPK14TSHR
SCHEMBL2176543 0.71 CYP19A1 (0.45) MAPTHPGD
SCHEMBL2178163 0.71 MAPK14 (0.40) MAPTMAPK14
SCHEMBL2177999 0.71 TSHR (0.44) MAPK14TSHR

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 MAPT 3226/4885NCOA1 2948/4885NCOA3 4138/4885

“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.