SCHEMBL7121933

SCHEMBL7121933

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc2c(c1)CN(CC(=O)Nc1cccc(C#N)c1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.42
ALOX5AP P20292 5/20 0.42
FEN1 P39748 5/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
F10 P00742 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
PTK2B Q14289 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 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
SCHEMBL7125640 0.82 LMNA (0.51) ALOX5APFEN1MAPTLMNA
SCHEMBL7117836 0.81 ALOX5AP (0.51) ALOX5APFEN1F10
SCHEMBL7129110 0.81 F10 (0.59) ALOX5APFEN1F10
SCHEMBL7128783 0.77 ALOX5AP (0.47) ALOX5APFEN1F10KMT2AMEN1
SCHEMBL7127217 0.74 F10 (0.65) F10
SCHEMBL7130064 0.73 ALOX5AP (0.38) ALOX5APFEN1F10
SCHEMBL7084412 0.72 F10 (0.45) ALOX5APFEN1F10ALDH1A1KMT2A
SCHEMBL7081191 0.71 F10 (0.41) ALOX5APFEN1F10ALDH1A1KMT2A
SCHEMBL7081398 0.71 NAMPT (0.41) ALOX5APFEN1F10
SCHEMBL7128420 0.71 ALOX5AP (0.34) ALOX5APFEN1F10

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-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI HPGD 755/4885RAB9A 1523/4885ALOX5AP 415/4885

“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.