SCHEMBL1374637

SCHEMBL1374637

N#Cc1cccc(Oc2ccc(C(c3ccc(Oc4cccc(C#N)c4C#N)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
AR P10275 12/20 0.39
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
GPR183 P32249 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.36
SCN9A Q15858 1/20 0.36
TLR8 Q9NR97 2/20 0.36

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
SCHEMBL9745713 0.87 KDM4E (0.49) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL10084168 0.86 AR (0.45) SMN1; SMN2POLBGAAARMEN1
SCHEMBL10084200 0.84 TLR8 (0.51) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL8466143 0.84 MAPT (0.41) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL12780794 0.84 ESR1 (0.50) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL29800655 0.84 POLB (0.51) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL7121279 0.84 POLB (0.51) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL1374728 0.82 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL9359794 0.82 KDM4E (0.54) KDM4ESMN1; SMN2POLBGAAAR
SCHEMBL17808966 0.81 AR (0.44) SMN1; SMN2POLBGAAARMEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452959-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-11-18 US claimed
EP-1507816-A4 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF US GOV SEC NAVY (US) 2006-05-31 EP claimed
EP-1507816-A1 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE NAVY (US) 2005-02-23 EP claimed
US-20040181029-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2004-09-16 US claimed
US-20040181027-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US claimed
US-20040181028-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US claimed
US-20030229198-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2003-12-11 US claimed
WO-2003091312-A1 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRSENTED BY THE SECRETARY OF THE NAVY (US) 2003-11-06 WO claimed
US-8530607-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-09-10 US disclosed
US-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-24 US disclosed
US-20110263775-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-27 US disclosed
US-8039576-B2 Aromatic ether and alkynyl containing phthalonitriles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-18 US disclosed
US-7511113-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-31 US disclosed
US-20090069484-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-12 US disclosed
US-20040181029-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2004-09-16 US disclosed
US-20040181027-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US disclosed
US-20040181028-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, THE, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2004-09-16 US disclosed
US-6756470-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-06-29 US disclosed
US-20030229198-A1 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof NAVY, UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF, THE 2003-12-11 US disclosed
WO-2003091312-A1 OLIGOMERIC HYDROXY ARYLETHER PHTHALONITILES AND SYNTHESIS THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRSENTED BY THE SECRETARY OF THE NAVY (US) 2003-11-06 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-20110288254-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES PNN, BECN1, ACIN1 KDM4E 675/4885SMN1; SMN2 1799/4885POLB 1873/4885

“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.