SCHEMBL6707738

SCHEMBL6707738

CC(C)(C)CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
NSD2 O96028 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
PTK2B Q14289 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLA2G7 Q13093 2/20 0.33
PTK2 Q05397 1/20 0.33
MAP3K5 Q99683 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL6713262 0.91 GRIK1 (0.41) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6713948 0.90 GRIK1 (0.41) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6711957 0.89 GRIK1 (0.40) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6709908 0.89 GRIK1 (0.36) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6713519 0.89 GRIK1 (0.41) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6707860 0.89 GRIK1 (0.39) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6710107 0.89 GRIK1 (0.39) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6710057 0.89 GRIK1 (0.39) GRIK1NSD2TP53MAPTPOLB
SCHEMBL6709043 0.88 GRIK1 (0.37) GRIK1PTK2B
SCHEMBL6708757 0.88 GRIK1 (0.42) GRIK1NSD2TP53MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GRIK1 3885/4885NSD2 3824/4885TP53 2699/4885

“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.