SCHEMBL2178944

SCHEMBL2178944

CC(C)COc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPK14 Q16539 1/20 0.43

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
SCHEMBL2176040 0.88 MEN1 (0.43) MEN1KMT2ACYP2D6TSHRCYP2C19
SCHEMBL2177834 0.87 TSHR (0.43) MEN1KMT2ACYP2D6TSHRCYP2C19
SCHEMBL2175721 0.85 MEN1 (0.52) MEN1KMT2ACYP2D6TSHRCYP2C19
SCHEMBL2177202 0.85 MAPK14 (0.53) MAPK14
SCHEMBL2177234 0.84 MAPK14 (0.44) TSHRMAPK14
SCHEMBL2175946 0.83 LMNA (0.46) MEN1KMT2ATSHR
SCHEMBL2175595 0.83 MAPK14 (0.43) TSHRMAPK14
SCHEMBL2175010 0.83 MEN1 (0.41) MEN1KMT2ACYP2D6TSHRCYP2C19
SCHEMBL2178830 0.82 MAPK14 (0.42) TSHRMAPK14
SCHEMBL2177842 0.82 HTT (0.44) TSHRMAPK14

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 MEN1 3245/4885KMT2A 3342/4885CYP2D6 3210/4885

“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.