SCHEMBL1663337

SCHEMBL1663337

CC(C)c1nc2cc([N+](=O)[O-])ccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
TRPV1 Q8NER1 1/20 0.52
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MIF P14174 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL1663398 0.83 TRPV1 (0.72) TRPV1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL1663858 0.82 TRPV1 (0.55) NPC1TRPV1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1663040 0.79 ESR1 (0.55) NPC1TRPV1TP53SMN1; SMN2KDM4E
SCHEMBL10446394 0.79 TRPV1 (0.52) TRPV1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL11931941 0.76 TRPV1 (0.52) NPC1TRPV1SMN1; SMN2KDM4ELMNA
SCHEMBL10445914 0.76 TRPV1 (0.48) TRPV1SMN1; SMN2ESR1ESR2
SCHEMBL1665830 0.75 TRPV1 (0.61) TRPV1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10446270 0.74 TRPV1 (0.47) TRPV1SMN1; SMN2ESR1ESR2
SCHEMBL1666292 0.74 TRPV1 (0.60) TRPV1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL1663939 0.74 ESR1 (0.49) TRPV1TP53SMN1; SMN2KDM4EMAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 US disclosed
CN-1956721-B Quinazolinone derivatives as vanilloid antagonists NOVARTIS AG 2015-05-13 CN disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 US disclosed
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2011-08-11 US disclosed
EP-1755606-B2 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2011-06-29 EP disclosed
US-7960399-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2011-06-14 US disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
EP-1978967-A1 QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-10-15 EP disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 US disclosed
EP-1755606-B1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-10-31 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
WO-2007065663-A1 QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
CN-1956721-A Quinazolinone derivatives as vanilloid antagonists NOVARTIS AG (CH) 2007-05-02 CN disclosed
EP-1755606-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS Novartis AG (CH) 2007-02-28 EP disclosed
WO-2005120510-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2005-12-22 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 (4 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-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CACNA1A, ALPI, CACNA1E NPC1 3713/4885TRPV1 57/4885TP53 4694/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A NPC1 1954/4885TRPV1 1/4885TP53 3609/4885
US-20110195983-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 NPC1 1324/4885TRPV1 1/4885TP53 3846/4885
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 NPC1 1324/4885TRPV1 1/4885TP53 3846/4885

“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.