SCHEMBL6709868

SCHEMBL6709868

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)C3CCOC3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.35
MAPK10 P53779 2/20 0.33
PIP5K1C O60331 4/20 0.33
PIK3CA P42336 4/20 0.33
ULK1 O75385 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.32
MAP3K5 Q99683 1/20 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
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL6709156 0.91 GPR35 (0.40) GPR35RXFP1HIF1ANPSR1MAPT
SCHEMBL6707660 0.91 PLCG2 (0.37) MAPK10PIP5K1CPIK3CAULK1HDAC3
SCHEMBL6707932 0.90 GPR35 (0.44) GPR35RXFP1HIF1ANPSR1MAPT
SCHEMBL6713992 0.90 GPR35 (0.42) GPR35RXFP1HIF1ANPSR1MAPT
SCHEMBL6710224 0.89 GPR35 (0.46) GPR35RXFP1MAPT
SCHEMBL6708999 0.89 RORC (0.34) MAPK10PIP5K1CPIK3CAULK1HDAC3
SCHEMBL6714070 0.86 GRIK1 (0.37) GPR35MAPK10PIP5K1CPIK3CAULK1
SCHEMBL6713465 0.84 GPR35 (0.43) GPR35RXFP1HIF1ANPSR1
SCHEMBL6711631 0.84 HDAC1 (0.35) GPR35HDAC3HDAC1HDAC2RXFP1
SCHEMBL6711624 0.84 HDAC1 (0.35) GPR35HDAC3HDAC1HDAC2RXFP1

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 GPR35 2928/4885MAPK10 2947/4885PIP5K1C 2879/4885

“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.