SCHEMBL6710047

SCHEMBL6710047

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2noc(=O)[nH]2)cc2cccc(OCC3CCC3)c21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
XDH P47989 1/20 0.37
PTGER1 P34995 7/20 0.36
KDM1A O60341 2/20 0.36
CHRM3 P20309 2/20 0.35
CMKLR1 Q99788 2/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MDM2 Q00987 4/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL6708861 0.98 XDH (0.39) GRIK1XDHPTGER1KDM1ACHRM3
SCHEMBL6713869 0.97 GRIK1 (0.38) GRIK1PTGER1KDM1ACHRM3CMKLR1
SCHEMBL6709839 0.91 XDH (0.37) GRIK1XDHPTGER1KDM1ARCOR1
SCHEMBL6710176 0.90 PTGER1 (0.40) GRIK1PTGER1MDM2
SCHEMBL6707700 0.90 KDM1A (0.38) XDHKDM1ACHRM3RCOR1MDM2
SCHEMBL6708955 0.89 XDH (0.39) GRIK1XDHPTGER1KDM1ARCOR1
SCHEMBL6708778 0.89 GRIK1 (0.39) GRIK1KDM1ACHRM3CMKLR1MDM2
SCHEMBL6711788 0.88 KDM1A (0.36) GRIK1XDHPTGER1KDM1ARCOR1
SCHEMBL6708788 0.88 XDH (0.39) XDHKDM1ACHRM3RCOR1PPARG
SCHEMBL6711990 0.87 GRIK1 (0.40) GRIK1

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 3885/4885XDH 142/4885PTGER1 3857/4885

“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.