SCHEMBL6713296

SCHEMBL6713296

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2ccc(NC(=O)c3ccno3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.40
GRM4 Q14833 1/20 0.38
GRIK1 P39086 1/20 0.38
ROCK1 Q13464 2/20 0.37
HTR2A P28223 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
RXFP2 Q8WXD0 1/20 0.35
BACE1 P56817 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
ABL1 P00519 1/20 0.34
IMPDH2 P12268 1/20 0.33
HTT P42858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPK1 P28482 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
SCHEMBL6710208 0.91 RXFP1 (0.44) PYGMGRM4GRIK1ROCK1HTR2A
SCHEMBL6714295 0.89 GRIK1 (0.41) GRM4GRIK1ROCK1RXFP1THRB
SCHEMBL6707687 0.89 PYGM (0.39) PYGMGRM4ROCK1HTR2ARXFP1
SCHEMBL6710124 0.88 NPC1 (0.43) PYGMGRIK1KMT2AMEN1HTT
SCHEMBL6710386 0.86 GRM4 (0.38) PYGMGRM4ROCK1HTR2ARXFP1
SCHEMBL6707880 0.85 GAA (0.42) GRM4GRIK1KMT2AMEN1IMPDH2
SCHEMBL6709869 0.85 GRIK1 (0.38) GRM4GRIK1ROCK1KMT2AMEN1
SCHEMBL6710171 0.85 GRIK1 (0.38) GRM4GRIK1ROCK1RXFP1THRB
SCHEMBL6713718 0.84 HPGD (0.40) GRM4GRIK1ROCK1IMPDH2
SCHEMBL6710123 0.84 ABL1 (0.43) THRBKMT2AMEN1ABL1HTT

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 PYGM 4115/4885GRM4 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.