SCHEMBL5558769

SCHEMBL5558769

COC(=O)c1ccc(CSc2cccc(Nc3nnc(-c4cc(OC)cc(OCc5ccccc5)c4)s3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 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 0.40
RAB9A P51151 3/20 0.40
CYP1A2 P05177 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5552796 0.95 MAPT (0.42) MAPTKMT2ANPSR1SAE1UBA2
SCHEMBL5557342 0.94 KMT2A (0.47) MAPTKMT2ANPSR1SAE1UBA2
SCHEMBL5557652 0.87 MRGPRX4 (0.43) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL5557794 0.84 HDAC6 (0.52) KMT2AMEN1NOX1HPGDLMNA
SCHEMBL6162257 0.79 PIK3CD (0.40) MAPTKMT2ANPSR1SAE1UBA2
SCHEMBL5558493 0.79 MAPT (0.36) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL6154251 0.78 NR1H4 (0.54) KMT2AMEN1NOX1NPC1RAB9A
SCHEMBL6155082 0.77 PIK3CD (0.41) MAPTKMT2AMEN1NOX1ALDH1A1
SCHEMBL5552894 0.76 HDAC6 (0.55) KMT2AMEN1L3MBTL1NOX1
SCHEMBL5552375 0.75 HDAC1 (0.41) KMT2AMEN1

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 MAPT 4430/4885KMT2A 4006/4885NPSR1 4770/4885

“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.