SCHEMBL1663739

SCHEMBL1663739

CC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
GRIK1 P39086 1/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL9507931 0.86 GRIK1 (0.55) MAPTGAAPOLBGRIK1ALDH1A1
SCHEMBL5156571 0.84 SMN1; SMN2 (0.67) MAPTGRIK1ALDH1A1CYP3A4ALOX15
SCHEMBL11733765 0.82 SMN1; SMN2 (0.64) MAPTGAAPOLBALDH1A1KMT2A
SCHEMBL9507967 0.82 MAPT (0.51) MAPTGAAPOLBGRIK1ALDH1A1
SCHEMBL10542066 0.81 ALDH1A1 (0.55) MAPTGAAGRIK1ALDH1A1CYP3A4
SCHEMBL7974577 0.81 ALDH1A1 (0.55) MAPTGAAGRIK1ALDH1A1CYP3A4
SCHEMBL3694733 0.80 MAPT (0.77) MAPTGAAGRIK1ALDH1A1CYP3A4
SCHEMBL12703765 0.80 KMT2A (0.61) MAPTGAAPOLBGRIK1ALDH1A1
SCHEMBL14574207 0.80 MAPT (0.55) MAPTGAAGRIK1ALDH1A1CYP3A4
SCHEMBL6618201 0.80 ALDH1A1 (0.55) MAPTGAAGRIK1ALDH1A1CYP3A4

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 8 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
US-20080318940-A1 Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2008-12-25 US disclosed
US-20080318940-A1 Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2008-12-25 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
WO-2007065663-A1 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 (2 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-20080318940-A1 Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV2 MAPT 3323/4885GAA 2792/4885POLB 4778/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 MAPT 2714/4885GAA 4248/4885POLB 4840/4885

“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.