SCHEMBL6708708

SCHEMBL6708708

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2noc(=O)[nH]2)cc2cccc(OC[C@H](O)CO)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
GRIK1 P39086 1/20 0.38
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ABL1 P00519 1/20 0.34
CMKLR1 Q99788 2/20 0.33
F11 P03951 2/20 0.33
KLKB1 P03952 2/20 0.33
GRM4 Q14833 1/20 0.33
GRM5 P41594 1/20 0.33
TLR4 O00206 1/20 0.33
ROCK1 Q13464 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 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
SCHEMBL6708711 1.00 IRAK4 (0.38) IRAK4GRIK1F2F10RXFP1
SCHEMBL6918564 0.93 KDM1A (0.34) IRAK4GRIK1CMKLR1F11KLKB1
SCHEMBL6708862 0.92 GRIK1 (0.36) GRIK1RXFP1ABL1CMKLR1F11
SCHEMBL6710035 0.91 GRIK1 (0.36) IRAK4GRIK1ABL1GRM5ROCK1
SCHEMBL6710032 0.91 GRIK1 (0.36) IRAK4GRIK1ABL1GRM5ROCK1
SCHEMBL6707657 0.89 ALK (0.40) RXFP1ABL1PPARGLMNAMAPT
SCHEMBL6707654 0.89 ALK (0.40) RXFP1ABL1PPARGLMNAMAPT
SCHEMBL6711990 0.88 GRIK1 (0.40) IRAK4GRIK1F10RXFP1F11
SCHEMBL6709189 0.87 GRIK1 (0.39) GRIK1RXFP1CMKLR1GRM4GRM5
SCHEMBL6713393 0.87 GRIK1 (0.39) GRIK1MAPT

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 IRAK4 1592/4885GRIK1 3885/4885F2 3040/4885

“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.