SCHEMBL7406706

SCHEMBL7406706

CN(C)C(=O)c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ERN1 O75460 5/20 0.53
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PMM2 O15305 1/20 0.47
MPI P34949 1/20 0.47
PHOSPHO1 Q8TCT1 1/20 0.47
KIF11 P52732 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
LOX P28300 1/20 0.45
PDK2 Q15119 1/20 0.44
AKR1C3 P42330 1/20 0.44
F10 P00742 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
SCHEMBL1255459 0.91 MEN1 (0.53) MEN1KMT2AERN1HPGDALDH1A1
SCHEMBL12640103 0.91 MEN1 (0.49) MEN1KMT2AERN1HPGDALDH1A1
SCHEMBL31365131 0.91 MEN1 (0.49) MEN1KMT2AERN1HPGDALDH1A1
SCHEMBL29562303 0.89 PARP1 (0.57) MEN1KMT2AERN1PMM2MPI
SCHEMBL128134 0.89 PARP1 (0.57) MEN1KMT2AERN1PMM2MPI
SCHEMBL26966721 0.89 MEN1 (0.47) MEN1KMT2AERN1HPGDALDH1A1
SCHEMBL19704270 0.88 MEN1 (0.46) MEN1KMT2AERN1HPGDALDH1A1
SCHEMBL2645117 0.87 CA12 (0.57) MEN1KMT2AERN1ALDH1A1PDK2
SCHEMBL29628546 0.87 CA12 (0.57) MEN1KMT2AERN1ALDH1A1PDK2
SCHEMBL2645114 0.87 ERN1 (0.47) MEN1KMT2AERN1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476743-A Thermoplastic resin, a charge director, a liquid component, an additive selected from cyclic carbonates, cyclic sulfones, cyclic sulfoxides and organic amides, pigments, and a charge adjuvant XEROX CORPORATION (US) 1995-12-19 US claimed
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2013-11-07 US disclosed
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2013-11-07 US disclosed
US-8039630-B2 Cationic compound, dye compound and method of using the same, and optical information recording medium FUJIFILM CORPORATION (JP) 2011-10-18 US disclosed
US-8039630-B2 Cationic compound, dye compound and method of using the same, and optical information recording medium FUJIFILM CORPORATION (JP) 2011-10-18 US disclosed
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-05-21 US disclosed
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-05-21 US disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20080274423-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-11-06 US disclosed
US-20080274423-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-11-06 US disclosed
US-7420093-B2 Process for the preparation of glycolaldehyde EASTMAN CHEMICAL COMPANY (US) 2008-09-02 US disclosed
US-20080081931-A1 PROCESS FOR THE PREPARATION OF GLYCOLALDEHYDE EASTMAN CHEMICAL COMPANY (US) 2008-04-03 US disclosed
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 WO disclosed
US-5476743-A Thermoplastic resin, a charge director, a liquid component, an additive selected from cyclic carbonates, cyclic sulfones, cyclic sulfoxides and organic amides, pigments, and a charge adjuvant XEROX CORPORATION (US) 1995-12-19 US 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 (4 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-20080081931-A1 PROCESS FOR THE PREPARATION OF GLYCOLALDEHYDE GRHPR, HRH3, ADH5 MEN1 3697/4885KMT2A 1955/4885ERN1 4240/4885
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME RRS1, RPS3, ADRM1 MEN1 2975/4885KMT2A 2647/4885ERN1 1938/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 MEN1 161/4885KMT2A 2727/4885ERN1 1436/4885
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins CTSF, CTSS, CTSZ MEN1 3229/4885KMT2A 4194/4885ERN1 1527/4885

“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.