SCHEMBL6708778

SCHEMBL6708778

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2noc(=O)[nH]2)cc2cccc(OC3CCC3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
KDM1A O60341 4/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
STK33 Q9BYT3 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CHRM3 P20309 2/20 0.34
CMKLR1 Q99788 2/20 0.34
ROCK1 Q13464 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
F11 P03951 2/20 0.33
KLKB1 P03952 2/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
MDM2 Q00987 1/20 0.33
STAT3 P40763 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
SCHEMBL6918564 0.91 KDM1A (0.34) GRIK1KDM1AJAK2JAK1TYK2
SCHEMBL6710118 0.91 GRIK1 (0.37) GRIK1KDM1ARXFP1
SCHEMBL6710047 0.89 GRIK1 (0.37) GRIK1KDM1ACHRM3CMKLR1MDM2
SCHEMBL6708736 0.89 GPR6 (0.39)
SCHEMBL6713869 0.87 GRIK1 (0.38) GRIK1KDM1ACHRM3CMKLR1MDM2
SCHEMBL6708861 0.87 XDH (0.39) GRIK1KDM1ACHRM3CMKLR1MDM2
SCHEMBL6710353 0.86 GRIK1 (0.41) GRIK1JAK2JAK1RXFP1ROCK1
SCHEMBL6710176 0.85 PTGER1 (0.40) GRIK1F11KLKB1MDM2
SCHEMBL6711990 0.85 GRIK1 (0.40) GRIK1RXFP1IRAK4ROCK1F11
SCHEMBL6713781 0.85 KDM1A (0.38) KDM1AJAK2JAK1TYK2JAK3

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 3885/4885KDM1A 620/4885JAK2 1940/4885

“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.