SCHEMBL1664004

SCHEMBL1664004

O=c1c2ccc(O)cc2nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.84
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.51
EGFR P00533 3/20 0.49
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MIF P14174 1/20 0.46
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 1/20 0.45
AOC3 Q16853 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
SCHEMBL1663630 0.82 ESR1 (0.57) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1664336 0.82 ESR1 (0.60) ESR1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8409027 0.80 ESR1 (0.72) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1663648 0.79 ESR1 (0.53) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1663398 0.79 TRPV1 (0.72) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1663008 0.79 ESR1 (0.53) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1665830 0.78 TRPV1 (0.61) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL10446279 0.78 ESR1 (0.52) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1663703 0.78 ESR1 (0.52) ESR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1665665 0.78 ESR1 (0.52) ESR1ALDH1A1KMT2AMEN1GAA

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 ESR1 1321/4885ALDH1A1 2499/4885KMT2A 3561/4885

“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.