SCHEMBL6710035

SCHEMBL6710035

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2cccc(OC[C@@H](O)CO)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
BACE1 P56817 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
MAP2K1 Q02750 2/20 0.32
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL6710032 1.00 GRIK1 (0.36) GRIK1BACE1LMNAMAPTGRM5
SCHEMBL6713722 0.92 NR2E1 (0.35) GRIK1BACE1LMNAMAPTGRM5
SCHEMBL6708711 0.91 IRAK4 (0.38) GRIK1LMNAMAPTGRM5PPARG
SCHEMBL6708708 0.91 IRAK4 (0.38) GRIK1LMNAMAPTGRM5PPARG
SCHEMBL6707654 0.89 ALK (0.40) LMNAMAPTMAP2K1PPARGABL1
SCHEMBL6707657 0.89 ALK (0.40) LMNAMAPTMAP2K1PPARGABL1
SCHEMBL6709918 0.88 GRIK1 (0.38) GRIK1BACE1LMNAMAPTGRM5
SCHEMBL6712425 0.87 TP53 (0.38) GRIK1LMNAMAPTGRM5
SCHEMBL6708956 0.87 LRRK2 (0.38) GRIK1BACE1LMNAMAPT
SCHEMBL6710021 0.86 GRIK1 (0.39) GRIK1BACE1LMNAMAPTKDM4E

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GRIK1 3885/4885BACE1 3406/4885LMNA 4062/4885

“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.