SCHEMBL5557342

SCHEMBL5557342

COc1cc(OCc2ccccc2)cc(-c2nnc(Nc3cccc(SCc4ccc(C(=O)O)cc4)c3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 7/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
FFAR1 O14842 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
NOX1 Q9Y5S8 1/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL5558769 0.94 MAPT (0.46) KMT2AMEN1L3MBTL1MAPTNPSR1
SCHEMBL5557652 0.93 MRGPRX4 (0.43) KMT2AMEN1FFAR1CSNK2A2CSNK2A1
SCHEMBL5552796 0.89 MAPT (0.42) KMT2AMEN1L3MBTL1MAPTNPSR1
SCHEMBL6154251 0.82 NR1H4 (0.54) KMT2AMEN1FFAR1NOX1NPC1
SCHEMBL5552894 0.82 HDAC6 (0.55) KMT2AMEN1L3MBTL1CSNK2A2CSNK2A1
SCHEMBL6162257 0.79 PIK3CD (0.40) KMT2AMEN1MAPTNPSR1SAE1
SCHEMBL5552375 0.79 HDAC1 (0.41) KMT2AMEN1FFAR1
SCHEMBL6155082 0.78 PIK3CD (0.41) KMT2AMEN1MAPTNOX1HPGD
SCHEMBL5557794 0.77 HDAC6 (0.52) KMT2AMEN1NOX1HPGDLMNA
SCHEMBL6155089 0.76 PIK3CD (0.48) KMT2AMEN1L3MBTL1MAPTNOX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF KMT2A 4006/4885MEN1 3362/4885L3MBTL1 302/4885

“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.