SCHEMBL6709017

SCHEMBL6709017

Cn1c(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(Cl)cc4-c4noc(=O)[nH]4)[nH]c23)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
ROCK1 Q13464 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GRIK1 P39086 1/20 0.40
PLCG2 P16885 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
PTK2B Q14289 1/20 0.37
LCK P06239 2/20 0.36
IMPDH2 P12268 1/20 0.36
LMNA P02545 1/20 0.36
NSD2 O96028 1/20 0.36
DGAT1 O75907 1/20 0.36
NHERF1 O14745 1/20 0.35
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL6710298 0.91 GRM4 (0.51) GRM4ROCK1RXFP1GRIK1PTGDR2
SCHEMBL6707732 0.91 ROCK1 (0.41) GRM4ROCK1RXFP1GRIK1LCK
SCHEMBL6707647 0.89 GRM4 (0.46) GRM4ROCK1RXFP1GRIK1PTGDR2
SCHEMBL6707599 0.89 TRPA1 (0.41) GRM4ROCK1PTGDR2LCKIMPDH2
SCHEMBL6710141 0.86 GRIK1 (0.44) RXFP1GRIK1PLCG2NSD2NHERF1
SCHEMBL6709173 0.86 GRIK1 (0.44) GRIK1PLCG2PTK2BLMNANSD2
SCHEMBL6708655 0.85 NHERF1 (0.46) RXFP1GRIK1PLCG2LMNANHERF1
SCHEMBL6710100 0.85 GRM4 (0.44) GRM4ROCK1RXFP1PLCG2PTGDR2
SCHEMBL6709877 0.84 GRIK1 (0.43) GRIK1PLCG2PTK2BLMNANSD2
SCHEMBL6713155 0.84 SERPINE1 (0.48) RXFP1GRIK1PLCG2LMNANSD2

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 GRM4 4668/4885ROCK1 4830/4885RXFP1 3836/4885

“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.