SCHEMBL4500432

SCHEMBL4500432

CC(C)(C)[Si](C)(C)OCc1ccc(C(N)=NO)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 5/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
F10 P00742 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL4500429 1.00 RECQL (0.39) RECQLGAARAB9ALMNAKMT2A
SCHEMBL1872937 0.80 CYP1A2 (0.39) RECQLGAARAB9ALMNAKMT2A
SCHEMBL3150934 0.78 GAA (0.39) RECQLGAARAB9ALMNAKMT2A
SCHEMBL3150939 0.78 GAA (0.39) RECQLGAARAB9ALMNAKMT2A
SCHEMBL3134668 0.75 NPSR1 (0.31) RECQLGAARAB9ANPSR1
SCHEMBL4500436 0.75 BACE1 (0.38) BACE1
SCHEMBL3134676 0.75 NPSR1 (0.31) RECQLGAARAB9ANPSR1
SCHEMBL3134995 0.75 NPSR1 (0.31) RECQLGAARAB9ANPSR1
SCHEMBL3138500 0.75 NPSR1 (0.31) RECQLGAARAB9ANPSR1
SCHEMBL22432227 0.73 PKM (0.40) GAAKMT2AL3MBTL1TP53BACE1

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 RECQL 4530/4885GAA 4354/4885RAB9A 3060/4885

“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.