SCHEMBL1663714

SCHEMBL1663714

COc1ccc(C(=O)Nc2ccc(C#N)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 6/20 0.52
NPC1 O15118 4/20 0.52
HSP90AA1 P07900 1/20 0.52
PKM P14618 1/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX5 P09917 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1662861 0.84 NPC1 (0.58) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL2309322 0.81 KMT2A (0.73) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL18132542 0.81 RXFP1 (0.54) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL1662854 0.81 RXFP1 (0.54) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL18132527 0.81 RXFP1 (0.54) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10244784 0.80 MEN1 (0.60) MEN1KMT2AMAPTLMNACYP1A2
SCHEMBL3606953 0.80 SMN1; SMN2 (0.60) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL10246590 0.78 ALDH1A1 (0.51) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL3595597 0.76 HTT (0.70) MEN1KMT2AMAPTNPC1HSP90AA1
SCHEMBL13163080 0.76 NPC1 (0.63) KMT2AKDM4EMAPTNPC1PKM

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 6 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
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 MEN1 4252/4885KMT2A 3561/4885KDM4E 2742/4885

“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.