SCHEMBL6707796

SCHEMBL6707796

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2cccc(OC[C@H]3COC(C)(C)O3)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.36
GRIK1 P39086 1/20 0.34
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
F10 P00742 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
GRM5 P41594 1/20 0.32
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
BACE1 P56817 2/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 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
SCHEMBL6707870 0.92 F10 (0.41) MAPK14GRIK1KCNJ5KCNJ3F10
SCHEMBL6710238 0.91 MAPK14 (0.35) MAPK14KCNJ5KCNJ3F10JAK2
SCHEMBL6711788 0.88 KDM1A (0.36) GRIK1GRM5BACE1
SCHEMBL6713771 0.87 MAPK14 (0.34) MAPK14KCNJ5KCNJ3F10HCRTR1
SCHEMBL6711633 0.87 ALDH1A1 (0.35) GRIK1F10GRM5
SCHEMBL6709839 0.87 XDH (0.37) GRIK1GRM5BACE1
SCHEMBL6708955 0.86 XDH (0.39) GRIK1GRM5BACE1
SCHEMBL6709918 0.84 GRIK1 (0.38) GRIK1GRM5BACE1
SCHEMBL6712425 0.84 TP53 (0.38) GRIK1GRM5
SCHEMBL6708956 0.83 LRRK2 (0.38) GRIK1BACE1

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 MAPK14 2897/4885GRIK1 3885/4885KCNJ5 2033/4885

“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.