SCHEMBL1663027

SCHEMBL1663027

Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
CASP1 P29466 1/20 0.42
CYP3A4 P08684 3/20 0.39
MAPT P10636 6/20 0.36
TSHR P16473 2/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
NR4A1 P22736 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
GFER P55789 1/20 0.33
THRB P10828 2/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL2411427 0.85 CYP3A4 (0.42) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL2771456 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4NR4A1
SCHEMBL1663492 0.75 ALDH1A1 (0.46) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL282712 0.75 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHRPOLB
SCHEMBL4232206 0.75 ALDH1A1 (0.46) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL23036593 0.74 TDP1 (0.42) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL17205115 0.74 HAO1 (0.44) ALDH1A1TDP1MAPTTSHRMEN1
SCHEMBL15708075 0.74 TDP1 (0.46) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL8167265 0.73 NR4A1 (0.61) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL30629801 0.73 CA12 (0.46) ALDH1A1TDP1CASP1CYP3A4MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 ALDH1A1 2499/4885TDP1 3621/4885CASP1 2703/4885

“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.