SCHEMBL2178029

SCHEMBL2178029

COc1c(C)cnc(COc2ccn(Cc3cc4c(cc3Cl)OCO4)c(=O)c2)c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
AGXT P21549 1/20 0.37
MAPK14 Q16539 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
KLKB1 P03952 1/20 0.36
HSP90AB1 P08238 2/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2176386 0.77 KDM4E (0.45) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2175391 0.77 MAPK14 (0.46) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2175647 0.77 MAPK14 (0.51) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2178922 0.76 MAPK14 (0.66) ALDH1A1NPC1HPGDMAPK14
SCHEMBL2177973 0.75 MAPK14 (0.46) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2180062 0.74 KDM4E (0.40) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2175574 0.74 MAPK14 (0.41) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2180037 0.73 KDM4E (0.39) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2177726 0.73 MCHR1 (0.41) ALDH1A1KDM4ENPC1HPGDMAPK14
SCHEMBL2174324 0.71 MAPK14 (0.41) ALDH1A1KDM4ENPC1HPGDMAPK14

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 HSP90AA1 1773/4885ALDH1A1 4172/4885KDM4E 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.