SCHEMBL4821996

SCHEMBL4821996

O=C(Nc1cccc2cc(Oc3ccnc(C(=O)O)c3)ccc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT3 Q9NTG7 2/20 0.52
KDR P35968 5/20 0.50
PYGL P06737 1/20 0.49
PYGM P11217 1/20 0.49
RET P07949 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46
ROS1 P08922 1/20 0.46
SRC P12931 1/20 0.46
RPS6KB1 P23443 1/20 0.46
EPHA2 P29317 1/20 0.46

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
SCHEMBL4812015 0.93 KDR (0.60) SIRT2SIRT1SIRT3KDRPYGL
SCHEMBL4822988 0.91 SIRT2 (0.51) SIRT2SIRT1SIRT3KDRPYGL
SCHEMBL2748670 0.91 KDR (0.62) SIRT2SIRT1SIRT3KDRRET
SCHEMBL4822892 0.90 SIRT2 (0.62) SIRT2SIRT1SIRT3KDRPYGL
SCHEMBL4821648 0.88 SIRT2 (0.63) SIRT2SIRT1SIRT3KDRPYGL
SCHEMBL4548762 0.84 KDR (0.64) KDRRETPLK4AURKAMAPK13
SCHEMBL2748155 0.83 KDR (0.74) KDRRETPLK4AURKAMAPK13
SCHEMBL2748133 0.83 KDR (0.56) SIRT2SIRT1SIRT3KDRRET
SCHEMBL2746821 0.82 RAF1 (0.61) SIRT2SIRT1SIRT3KDRRET
SCHEMBL2747846 0.82 KDR (0.57) SIRT2SIRT1SIRT3KDRRET

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-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET SIRT2 1966/4885SIRT1 1349/4885SIRT3 1430/4885

“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.