SCHEMBL6710322

SCHEMBL6710322

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 2/20 0.36
NSD2 O96028 1/20 0.35
MAP3K5 Q99683 1/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
PTK2 Q05397 1/20 0.33
PTK2B Q14289 1/20 0.33
PLA2G7 Q13093 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
SCHEMBL6708780 0.94 GRIK1 (0.38) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6713476 0.93 GRIK1 (0.41) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6713337 0.90 GRIK1 (0.43) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6709927 0.90 MAPT (0.41) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6713262 0.89 GRIK1 (0.41) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6708757 0.88 GRIK1 (0.42) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6707904 0.88 MAPT (0.37) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6708679 0.88 GRIK1 (0.44) GRIK1MAPTTDP1POLBTP53
SCHEMBL6711957 0.88 GRIK1 (0.40) GRIK1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL6710057 0.87 GRIK1 (0.39) GRIK1MAPTMAPK1TDP1SMN1; SMN2

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 3885/4885MAPT 4754/4885MAPK1 2728/4885

“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.