SCHEMBL6714070

SCHEMBL6714070

O=C(Nc1ccc(Br)cc1-c1noc(=O)[nH]1)c1cc2cccc(NC(=O)C3CCOC3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
PIP5K1C O60331 4/20 0.33
PIK3CA P42336 4/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 3/20 0.32
MAPK10 P53779 2/20 0.32
SETD2 Q9BYW2 1/20 0.31
PIP5K1B O14986 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK14 Q16539 1/20 0.31
PIP5K1A Q99755 1/20 0.31
GPR35 Q9HC97 1/20 0.31
ULK1 O75385 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL6713911 0.92 GRIK1 (0.40) GRIK1NSD2MAPTGPR35TP53
SCHEMBL6710073 0.91 GRIK1 (0.39) GRIK1PIP5K1CPIK3CAHDAC1HDAC2
SCHEMBL6707746 0.91 GRIK1 (0.39) GRIK1NSD2MAPTGPR35POLB
SCHEMBL6709354 0.91 GPR35 (0.40) GRIK1NSD2MAPTGPR35POLB
SCHEMBL6712074 0.90 GPR35 (0.41) GRIK1MAPTGPR35POLBRXFP1
SCHEMBL6708822 0.89 RORC (0.34) PIP5K1CPIK3CAHDAC3HDAC1HDAC2
SCHEMBL6709868 0.86 GPR35 (0.35) PIP5K1CPIK3CAHDAC3HDAC1HDAC2
SCHEMBL6708679 0.85 GRIK1 (0.44) GRIK1NSD2MAPTGPR35TP53
SCHEMBL6709003 0.85 GRIK1 (0.37) GRIK1HDAC3HDAC1HDAC2NSD2
SCHEMBL6709006 0.85 GRIK1 (0.37) GRIK1HDAC3HDAC1HDAC2NSD2

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 3885/4885PIP5K1C 2879/4885PIK3CA 2906/4885

“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.