SCHEMBL6708762

SCHEMBL6708762

CC(=O)OCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)n(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
GRIK1 P39086 1/20 0.37
ROCK1 Q13464 2/20 0.34
ADORA2B P29275 4/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
SCHEMBL6713718 0.92 HPGD (0.40) GRIK1ROCK1ADORA2BADORA2AADORA1
SCHEMBL6711479 0.92 RXFP1 (0.41) PKMGRIK1ROCK1GRM4ALDH1A1
SCHEMBL6708925 0.89 ADORA2B (0.36) ROCK1ADORA2BADORA2AADORA1ADORA3
SCHEMBL6714295 0.89 GRIK1 (0.41) GRIK1ROCK1GRM4ALDH1A1SMN1; SMN2
SCHEMBL6709869 0.88 GRIK1 (0.38) GRIK1ROCK1GRM4ALDH1A1SMN1; SMN2
SCHEMBL6708928 0.85 PKM (0.38) PKMROCK1GRM4ALDH1A1SMN1; SMN2
SCHEMBL6713186 0.84 RXFP1 (0.42) GRIK1ROCK1GRM4ALDH1A1SMN1; SMN2
SCHEMBL6710171 0.83 GRIK1 (0.38) GRIK1ROCK1GRM4ALDH1A1MAPT
SCHEMBL6713296 0.83 PYGM (0.40) GRIK1ROCK1GRM4
SCHEMBL6710606 0.83 GRIK1 (0.40) GRIK1ALDH1A1

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 PKM 3958/4885GRIK1 3885/4885ROCK1 4830/4885

“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.