SCHEMBL4505482

SCHEMBL4505482

CC(C)(C)[Si](C)(C)OCc1cccc(NC(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.39
NR3C2 P08235 1/20 0.38
BACE1 P56817 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GBA1 P04062 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL20387967 0.86 NPC1 (0.41) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3530865 0.85 SMN1; SMN2 (0.40) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20416633 0.85 BACE1 (0.37) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20387979 0.84 HPGD (0.56) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL19477818 0.83 RAB9A (0.54) PDE5ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20928733 0.81 SMN1; SMN2 (0.46) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20416635 0.81 MEN1 (0.37) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19477581 0.81 PDE5A (0.42) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20436541 0.81 BACE1 (0.34) PDE5ABACE1
SCHEMBL28521553 0.81 APP (0.40) BACE1

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS PDE5A 739/4885CHRNB2 3695/4885CHRNB4 3650/4885

“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.