SCHEMBL731576

SCHEMBL731576

COc1ccc(C2(C)COC/C(=C/[N+](=O)[O-])N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SNCA P37840 1/20 0.33
GSK3B P49841 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL730344 0.76 LMNA (0.40) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL24342639 0.62 CA1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL731580 0.62 CHRNA1 (0.42) ALDH1A1GAAMEN1KMT2ACHRNA1
SCHEMBL730104 0.59 CHRNA1 (0.42) ALDH1A1GAAMEN1KMT2ACHRNA1
SCHEMBL25331017 0.59 MGAT2 (0.40)
Nitrogen SCHEMBL9082924 0.59 APP (0.66) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL119428 0.59 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7506778 0.58 GAA (0.32) GAASMN1; SMN2
SCHEMBL27689573 0.58 APP (0.55) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL20328414 0.58 APP (0.70) ALDH1A1MAPTMEN1KMT2ARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 EP disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2007770-A1 IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2008-12-31 EP disclosed
WO-2007116099-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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 (2 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-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 FBP1 1732/4885ALDH1A1 350/4885MAPT 4443/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 FBP1 1785/4885ALDH1A1 515/4885MAPT 4058/4885

“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.