SCHEMBL1663030

SCHEMBL1663030

Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL9108332 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL28264690 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTHTTHSD17B10
SCHEMBL28264689 0.81 ALDH1A1 (0.39) ALDH1A1CYP3A4MAPTHTTKMT2A
SCHEMBL2770853 0.80 ATM (0.49) ALDH1A1TSHRCYP3A4MAPTHTT
SCHEMBL4237009 0.79 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL5235060 0.77 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL178068 0.76 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL4237594 0.75 NPC1 (0.48) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL9112833 0.75 GAA (0.49) ALDH1A1TSHRCYP3A4MAPTHTT
SCHEMBL9299423 0.74 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4RECQLMAPT

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 2499/4885TSHR 1108/4885CYP3A4 1500/4885

“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.