SCHEMBL6708955

SCHEMBL6708955

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2cccc(OCC3CCCCC3)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
PTGER1 P34995 2/20 0.37
PPARG P37231 2/20 0.35
KDM1A O60341 2/20 0.35
GRIK1 P39086 1/20 0.35
RCOR1 Q9UKL0 1/20 0.34
CCKAR P32238 4/20 0.34
CCKBR P32239 4/20 0.34
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
GRM5 P41594 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
BACE1 P56817 3/20 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
SCHEMBL6709839 0.98 XDH (0.37) XDHPTGER1PPARGKDM1AGRIK1
SCHEMBL6711788 0.96 KDM1A (0.36) XDHPTGER1PPARGKDM1AGRIK1
SCHEMBL6708861 0.91 XDH (0.39) XDHPTGER1PPARGKDM1AGRIK1
SCHEMBL6711633 0.91 ALDH1A1 (0.35) GRIK1GRM5IRAK4
SCHEMBL6708788 0.90 XDH (0.39) XDHPPARGKDM1ARCOR1CCKAR
SCHEMBL6710047 0.89 GRIK1 (0.37) XDHPTGER1PPARGKDM1AGRIK1
SCHEMBL6707700 0.88 KDM1A (0.38) XDHPPARGKDM1ARCOR1
SCHEMBL6713869 0.88 GRIK1 (0.38) PTGER1PPARGKDM1AGRIK1RCOR1
SCHEMBL6710118 0.87 GRIK1 (0.37) PPARGKDM1AGRIK1RCOR1CCKAR
SCHEMBL6709918 0.87 GRIK1 (0.38) GRIK1GRM5BACE1

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 XDH 142/4885PTGER1 3857/4885PPARG 262/4885

“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.