SCHEMBL1663328

SCHEMBL1663328

Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1NC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
ABL1 P00519 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1664302 0.85 KCNK2 (0.44) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1663454 0.82 SMN1; SMN2 (0.48) MAPK1ALDH1A1LMNAMAPTHTT
SCHEMBL14409902 0.80 GAA (0.51) MAPK1LMNAMAPTHTTMEN1
SCHEMBL6314811 0.74 GAA (0.51) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL2412930 0.73 MEN1 (0.41) MAPK1ALDH1A1LMNAMAPTHTT
SCHEMBL2979786 0.72 CYP1A2 (0.55) MAPK1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL9824176 0.72 TSHR (0.47) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL19123715 0.72 PDK1 (0.52) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL1663491 0.72 AKR1C3 (0.40) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL3251775 0.71 PDK1 (0.43) PDK1PDK2PDK3PDK4L3MBTL1

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 PDK1 1798/4885PDK2 2205/4885PDK3 1876/4885

“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.