SCHEMBL6709959

SCHEMBL6709959

COc1ccc(-c2ccc3cc(C(=O)Nc4ccc(C#N)cc4-c4noc(=O)[nH]4)n(C)c3c2)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.38
FYN P06241 2/20 0.38
TDP2 O95551 1/20 0.35
HCK P08631 6/20 0.35
MAPT P10636 1/20 0.34
IMPDH2 P12268 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
LYN P07948 1/20 0.33
FGR P09769 1/20 0.33
SRC P12931 1/20 0.33
TEK Q02763 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
ROCK1 Q13464 1/20 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
SCHEMBL6713698 0.89 CPT1A (0.40) LCKFYNHCKMAPTIMPDH2
SCHEMBL6714243 0.89 LCK (0.37) LCKFYNHCKMAPTIMPDH2
SCHEMBL6707942 0.85 LCK (0.37) LCKFYNTDP2HCKMAPT
SCHEMBL6708877 0.84 ROCK1 (0.38) LCKFYNF11KLKB1ROCK1
SCHEMBL6709219 0.84 CCKAR (0.38) LCKFYNF11KLKB1ROCK1
SCHEMBL6710311 0.82 FTO (0.41) LCKFYNMAPTROCK1
SCHEMBL6713525 0.82 ROCK1 (0.36) LCKFYNF11KLKB1ROCK1
SCHEMBL6713906 0.82 MAPT (0.44) MAPT
SCHEMBL6834339 0.82 MAPT (0.39) LCKFYNHCKMAPTBRD1
SCHEMBL6710317 0.81 ROCK1 (0.45) LCKIMPDH2ROCK1

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 LCK 4247/4885FYN 4319/4885TDP2 3788/4885

“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.