SCHEMBL6710154

SCHEMBL6710154

CC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(Br)cc4-c4noc(=O)[nH]4)c3cc2NC(C)=O)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.40
MAP2K1 Q02750 1/20 0.35
HDAC1 Q13547 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ABL1 P00519 1/20 0.33
GPR35 Q9HC97 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
HIF1A Q16665 4/20 0.32
KIF11 P52732 1/20 0.31
PTGS2 P35354 1/20 0.31
EPHX1 P07099 1/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL6707946 0.92 GRIK1 (0.42) GRIK1MAP2K1HDAC1S1PR1S1PR3
SCHEMBL6833746 0.85 KCNK2 (0.39) MAP2K1S1PR1S1PR3ALDH1A1HTT
SCHEMBL6713674 0.80 LMNA (0.37) GRIK1ALDH1A1HTTHIF1A
SCHEMBL6708767 0.79 HIF1A (0.35) MAP2K1HDAC1S1PR1S1PR3HIF1A
SCHEMBL6709887 0.78 GRIK1 (0.43) GRIK1ALDH1A1HTTHIF1A
SCHEMBL6707727 0.78 GRIK1 (0.37) GRIK1HTTHIF1AKDR
SCHEMBL6709925 0.78 EPHX2 (0.41) GRIK1HTTHIF1AKDR
SCHEMBL6833974 0.77 TAS2R14 (0.42) GRIK1MAP2K1S1PR1S1PR3HTT
SCHEMBL6753986 0.77 RORC (0.32) MAP2K1S1PR1S1PR3
SCHEMBL6711456 0.77 HIF1A (0.46) GRIK1HDAC1ALDH1A1HIF1A

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 3885/4885MAP2K1 4678/4885HDAC1 1910/4885

“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.