SCHEMBL1662854

SCHEMBL1662854

COc1ccc(C(=O)Nc2ccc(C#N)cc2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
CISD2 Q8N5K1 1/20 0.53
KLKB1 P03952 1/20 0.51
PLAU P00749 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
IL18 Q14116 1/20 0.49
TP53 P04637 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLAT P00750 1/20 0.47

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
SCHEMBL13936249 0.85 KLKB1 (0.56) KLKB1PLAUMEN1KMT2AMAPT
SCHEMBL18132542 0.85 RXFP1 (0.54) RXFP1CISD2KLKB1PLAUMEN1
SCHEMBL18132527 0.85 RXFP1 (0.54) RXFP1CISD2KLKB1PLAUMEN1
SCHEMBL1662851 0.83 MAOB (0.58) KLKB1MEN1KMT2APOLBMAPT
SCHEMBL7865531 0.82 NPC1 (0.58) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL27491444 0.82 PLAU (0.58) RXFP1KLKB1PLAUMEN1KMT2A
SCHEMBL1663714 0.81 MEN1 (0.54) RXFP1MEN1KMT2APOLBMAPT
SCHEMBL8410946 0.80 KLKB1 (0.52) KLKB1PLAUMEN1KMT2AMAPT
SCHEMBL7246423 0.80 NPC1 (0.55) KLKB1MEN1KMT2APOLBMAPT
SCHEMBL15920792 0.80 NPC1 (0.57) KLKB1PLAUMEN1KMT2AMAPT

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 RXFP1 340/4885CISD2 1931/4885KLKB1 2615/4885

“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.