SCHEMBL1663728

SCHEMBL1663728

COc1cc(C(=O)O)c([N+](=O)[O-])cc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXRA P19793 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CTSD P07339 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL23044938 0.81 PKM (0.50) LMNAKDM4ENPC1PKMMAPT
SCHEMBL873861 0.81 CTSV (0.60) LMNACTSVCTSLKDM4EMAPT
SCHEMBL159283 0.81 CTSV (0.60) LMNACTSVCTSLKDM4EMAPT
SCHEMBL3766451 0.79 ALDH1A1 (0.46) LMNAKDM4ENPC1RAB9AMAPT
SCHEMBL3775201 0.79 ALDH1A1 (0.46) LMNAKDM4ENPC1RAB9AMAPT
SCHEMBL31549975 0.79 PKM (0.59) LMNAKDM4ENPC1PKMMAPT
SCHEMBL375897 0.79 PKM (0.59) LMNAKDM4ENPC1PKMMAPT
SCHEMBL19921340 0.78 PKM (0.47) LMNAKDM4ENPC1PKMMAPT
SCHEMBL2903458 0.77 PKM (0.58) LMNAKDM4ENPC1PKMMAPT
SCHEMBL28454415 0.77 PKM (0.58) LMNAKDM4ENPC1PKMMAPT

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 4 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
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 LMNA 4282/4885CTSV 3495/4885CTSL 3899/4885

“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.