SCHEMBL6707901

SCHEMBL6707901

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)Cc4ccccc4Cl)c3[nH]2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.40
ALDH1A1 P00352 1/20 0.36
VNN1 O95497 1/20 0.34
PLA2G7 Q13093 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
GRIK1 P39086 1/20 0.33
EPAS1 Q99814 1/20 0.33
HSD11B1 P28845 1/20 0.33
NHERF1 O14745 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
CLK2 P49760 1/20 0.33
PRKX P51817 1/20 0.33
CAMK2D Q13557 1/20 0.33
PKN2 Q16513 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
STK17A Q9UEE5 1/20 0.33
KCNQ2 O43526 1/20 0.33
BRD4 O60885 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
SCHEMBL6709095 0.93 GRIK1 (0.37) PARP14ALDH1A1GRIK1NHERF1
SCHEMBL6710251 0.93 PARP14 (0.35) PARP14PLA2G7GRIK1EPAS1
SCHEMBL6710182 0.92 ALDH1A1 (0.40) PARP14ALDH1A1PLA2G7MAPK8MAPK9
SCHEMBL6708561 0.91 NSD2 (0.39) PARP14ALDH1A1PLA2G7MAPK8MAPK9
SCHEMBL6710278 0.90 PARP14 (0.43) PARP14ALDH1A1PLA2G7GRIK1NHERF1
SCHEMBL6709308 0.90 TP53 (0.41) ALDH1A1PLA2G7MAPK8MAPK9HDAC1
SCHEMBL6709207 0.89 PARP14 (0.43) PARP14ALDH1A1PLA2G7HDAC1IDO1
SCHEMBL6711745 0.89 PLA2G7 (0.38) PARP14ALDH1A1PLA2G7BRD4HDAC1
SCHEMBL6714135 0.89 PARP14 (0.41) PARP14GRIK1KCNQ2
SCHEMBL6707895 0.89 PARP14 (0.39) PARP14ALDH1A1PLA2G7GRIK1BRD4

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 PARP14 2597/4885ALDH1A1 123/4885VNN1 797/4885

“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.