SCHEMBL6710102

SCHEMBL6710102

O=C(Nc1ccc(Br)cc1-c1noc(=O)[nH]1)c1noc2cc(OS(=O)(=O)Cc3ccccc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
HIF1A Q16665 9/20 0.35
CNR2 P34972 1/20 0.32
SCD5 Q86SK9 1/20 0.31
ROCK1 Q13464 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GPR35 Q9HC97 1/20 0.31
BACE1 P56817 1/20 0.30
XIAP P98170 1/20 0.30

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
SCHEMBL6707640 0.91 HIF1A (0.40) GRIK1HIF1ACNR2ROCK1KMT2A
SCHEMBL6710358 0.89 HIF1A (0.34) HIF1ACNR2
SCHEMBL6710206 0.88 MAOB (0.37) GRIK1HIF1ASCD5
SCHEMBL6708678 0.88 LRRK2 (0.39) GRIK1HIF1A
SCHEMBL6709974 0.87 GPR35 (0.33) HIF1ASCD5KMT2AMEN1GPR35
SCHEMBL6708931 0.85 GRIK1 (0.37) GRIK1HIF1AROCK1
SCHEMBL6707793 0.83 HIF1A (0.45) GRIK1HIF1AKMT2AMEN1GPR35
SCHEMBL6711803 0.81 HIF1A (0.38) GRIK1HIF1AKMT2AMEN1GPR35
SCHEMBL6711800 0.81 HIF1A (0.45) GRIK1HIF1ASCD5ROCK1KMT2A
SCHEMBL6709830 0.81 BRD4 (0.39) GRIK1HIF1AROCK1

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 3885/4885HIF1A 296/4885CNR2 3985/4885

“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.