SCHEMBL6833746

SCHEMBL6833746

CC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(Br)cc4C(=O)O)c3cc2NC(C)=O)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAP2K1 Q02750 1/20 0.37
MPO P05164 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
AKR1C2 P52895 4/20 0.36
AKR1C1 Q04828 3/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C4 P17516 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
SORT1 Q99523 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
PTGFR P43088 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6833974 0.90 TAS2R14 (0.42) MAP2K1MPOS1PR1S1PR3HTT
SCHEMBL6833954 0.89 RORC (0.35) MAP2K1MPOS1PR1S1PR3KDM4E
SCHEMBL6821650 0.89 KCNK2 (0.38) KCNK2KCNK10ALDH1A1MAP2K1MPO
SCHEMBL6710154 0.85 GRIK1 (0.40) ALDH1A1MAP2K1S1PR1S1PR3HTT
SCHEMBL6818600 0.84 TP53 (0.34) MAP2K1MPOS1PR1S1PR3POLB
SCHEMBL6821982 0.82 TP53 (0.34) S1PR1S1PR3POLB
SCHEMBL6818246 0.82 TP53 (0.34) MAP2K1S1PR1S1PR3POLB
SCHEMBL6822026 0.82 EGLN2 (0.35) MAP2K1MPOS1PR1S1PR3POLB
SCHEMBL6822667 0.81 RORC (0.37) MAP2K1S1PR1S1PR3
SCHEMBL6818889 0.81 EGLN2 (0.34) MAP2K1MPOS1PR1S1PR3POLB

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KCNK2 3090/4885KCNK10 3434/4885ALDH1A1 170/4885

“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.