SCHEMBL6707768

SCHEMBL6707768

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
ROCK1 Q13464 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 3/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
PPARG P37231 1/20 0.32
KIF18A Q8NI77 1/20 0.32
CCR9 P51686 1/20 0.32

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
SCHEMBL6712077 0.91 GRIK1 (0.39) GRIK1ROCK1F10
SCHEMBL6707962 0.90 GRIK1 (0.40) GRIK1ROCK1MEN1KMT2A
SCHEMBL6712131 0.89 F10 (0.34) ROCK1MEN1NPC1RAB9AKMT2A
SCHEMBL6712244 0.88 GRIK1 (0.38) GRIK1ROCK1MEN1KMT2A
SCHEMBL6711606 0.85 GRIK1 (0.42) GRIK1ROCK1MEN1NPC1RAB9A
SCHEMBL6709841 0.85 GRIK1 (0.40) GRIK1ROCK1KMT2A
SCHEMBL6710225 0.84 GRIK1 (0.42) GRIK1ROCK1MEN1NPC1RAB9A
SCHEMBL6711796 0.84 HIF1A (0.36) ROCK1F10F2PRSS1PRSS2
SCHEMBL6708769 0.84 GRIK1 (0.39) GRIK1ROCK1NPC1KMT2A
SCHEMBL6710300 0.84 GRIK1 (0.38) GRIK1ROCK1MEN1KMT2AF10

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 3885/4885ROCK1 4830/4885MEN1 4100/4885

“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.