SCHEMBL5557652

SCHEMBL5557652

O=C(O)c1ccc(CSc2cccc(Nc3nnc(-c4cc(OCc5ccccc5)cc(OCc5cccc(C(=O)O)c5)c4)s3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.43
NR1H4 Q96RI1 6/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.40
NR4A2 P43354 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GCK P35557 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL5557342 0.93 KMT2A (0.47) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5552796 0.91 MAPT (0.42) MRGPRX4HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL5558769 0.87 MAPT (0.46) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6154251 0.86 NR1H4 (0.54) MRGPRX4NR1H4MEN1NPC1POLB
SCHEMBL5552375 0.86 HDAC1 (0.41) MRGPRX4NR1H4MEN1KMT2AFFAR1
SCHEMBL5552894 0.82 HDAC6 (0.55) NR1H4MEN1KMT2ANR4A2GCK
SCHEMBL6162257 0.80 PIK3CD (0.40) HPGDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6155082 0.79 PIK3CD (0.41) HPGDALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL6682432 0.78 RAB9A (0.53) NR1H4ALDH1A1MEN1NPC1POLB
SCHEMBL5558493 0.77 MAPT (0.36) MRGPRX4HPGDALDH1A1SMN1; SMN2MEN1

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 MRGPRX4 2180/4885NR1H4 3604/4885HPGD 1394/4885

“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.