SCHEMBL2178163

SCHEMBL2178163

CCCCCOc1ccn(Cc2cccc([N+](=O)[O-])c2Cl)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38

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
SCHEMBL2177557 0.89 ALDH1A1 (0.44) MAPK14MAPTMEN1MAPK1RECQL
SCHEMBL2176896 0.89 CMA1 (0.42) MAPK14MAPTMEN1MAPK1RECQL
SCHEMBL2178547 0.85 MAPK14 (0.44) MAPK14
SCHEMBL2174497 0.83 TSHR (0.43) MAPK14
SCHEMBL2176889 0.81 LMNA (0.39) MAPTKMT2A
SCHEMBL2175006 0.80 P2RX7 (0.42) MAPK14
SCHEMBL2176810 0.80 CYP19A1 (0.43) MAPT
SCHEMBL2179154 0.80 MAPK14 (0.49) MAPK14
SCHEMBL2178035 0.79 MAPK14 (0.49) MAPK14
SCHEMBL2177626 0.79 NPC1 (0.43) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN claimed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
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
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN 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 MAPK14 1791/4885MAPT 3226/4885MEN1 3245/4885

“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.