SCHEMBL1663911

SCHEMBL1663911

CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.63
NOS1 P29475 1/20 0.63
NOS2 P35228 1/20 0.63
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
SLC6A4 P31645 4/20 0.47
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
VCAM1 P19320 1/20 0.44
PKM P14618 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2949639 0.84 TSHR (0.60) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL18104460 0.81 NOS3 (0.54) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL67864 0.80 MAPK1 (0.60) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL27273104 0.80 MAPK1 (0.60) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL502816 0.79 NOS3 (0.50) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL13262511 0.79 ATM (0.55) NOS3NOS1NOS2MAPK1ALDH1A1
SCHEMBL310625 0.79 TSHR (0.55) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL9191570 0.79 MAPK1 (0.58) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL68713 0.79 TSHR (0.58) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL68181 0.79 TSHR (0.58) NOS3NOS1NOS2TSHRMAPK1

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
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN 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 NOS3 798/4885NOS1 1388/4885NOS2 1300/4885

“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.