SCHEMBL1662861

SCHEMBL1662861

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 1/20 0.57
PKM P14618 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
HSP90AA1 P07900 1/20 0.55
KMT2A Q03164 1/20 0.55
PAX8 Q06710 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOB P27338 2/20 0.54
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.53
PNLIP P16233 1/20 0.53
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52

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
SCHEMBL3606953 0.93 SMN1; SMN2 (0.60) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL1663714 0.84 MEN1 (0.54) NPC1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10246421 0.84 MEN1 (0.59) RAB9AMAPTMEN1HSP90AA1KMT2A
SCHEMBL1663051 0.84 POLB (0.49) NPC1CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL6591899 0.84 LMNA (0.74) NPC1CYP3A4PKMMAPTMEN1
SCHEMBL2309322 0.84 KMT2A (0.73) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL1663288 0.82 KCNMA1 (0.60) NPC1CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL31582756 0.81 KDM4E (0.50) NPC1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2153018 0.80 MAPT (0.59) NPC1RAB9AKDM4EPKMMAPT
SCHEMBL4831914 0.80 MAPT (0.65) NPC1CYP1A2CYP3A4CYP2D6CYP2C19

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 NPC1 1251/4885CYP1A2 1668/4885CYP3A4 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.