SCHEMBL6707732

SCHEMBL6707732

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.41
GRM4 Q14833 1/20 0.38
GRIK1 P39086 1/20 0.38
LCK P06239 1/20 0.36
LMNA P02545 1/20 0.36
NSD2 O96028 1/20 0.36
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSP90AB1 P08238 1/20 0.35
IMPDH2 P12268 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6710127 0.91 ROCK1 (0.47) ROCK1GRM4GRIK1LCKLMNA
SCHEMBL6709017 0.91 GRM4 (0.44) ROCK1GRM4GRIK1LCKLMNA
SCHEMBL6710227 0.89 ROCK1 (0.43) ROCK1GRM4GRIK1LCKLMNA
SCHEMBL6707599 0.89 TRPA1 (0.41) ROCK1GRM4LCKLMNANSD2
SCHEMBL6708757 0.86 GRIK1 (0.42) GRIK1LMNANSD2RXFP1MEN1
SCHEMBL6713760 0.86 GRIK1 (0.42) GRIK1NSD2HIF1ANPSR1RXFP1
SCHEMBL6708679 0.86 GRIK1 (0.44) GRIK1NSD2HIF1ANPSR1RXFP1
SCHEMBL6710166 0.85 NPC1 (0.43) GRIK1LMNANPC1RAB9A
SCHEMBL6713768 0.85 HIF1A (0.40) ROCK1GRM4LCKLMNAHIF1A
SCHEMBL6713262 0.84 GRIK1 (0.41) GRIK1LMNANSD2MEN1KMT2A

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 ROCK1 4830/4885GRM4 4668/4885GRIK1 3885/4885

“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.