SCHEMBL1047211

SCHEMBL1047211

O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
MAPT P10636 6/20 1.00
HTT P42858 4/20 1.00
POLB P06746 4/20 1.00
DDX3X O00571 2/20 1.00
CTDSP1 Q9GZU7 1/20 1.00
GAA P10253 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.75
BAZ1A Q9NRL2 3/20 0.73
CA12 O43570 2/20 0.73
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
CA9 Q16790 2/20 0.73
MAPK1 P28482 2/20 0.73
CA5A P35218 1/20 0.73
CA5B Q9Y2D0 1/20 0.73
NPC1 O15118 3/20 0.71
LMNA P02545 2/20 0.71
RAB9A P51151 2/20 0.71

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
SCHEMBL17084065 0.98 MEN1 (0.96) MEN1KMT2AMAPTHTTPOLB
SCHEMBL6129390 0.95 MEN1 (0.90) MEN1KMT2AMAPTHTTPOLB
SCHEMBL4554987 0.91 MEN1 (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL22092648 0.91 MAPT (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL29494959 0.91 MAPT (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL15507203 0.91 MEN1 (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL10069069 0.91 KMT2A (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL29494984 0.91 MEN1 (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL12728640 0.90 MEN1 (0.81) MEN1KMT2AMAPTHTTPOLB
SCHEMBL14336428 0.90 KMT2A (0.81) MEN1KMT2AMAPTHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212020-B1 IMPRINTED POLYMERS WITH AFFINITY FOR PHOSPHORYLATED PEPTIDES AND PROTEINS SELLERGREN BOERJE (SE) 2018-07-04 EP disclosed
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-9329186-B2 Imprinted polymers with affinity for phosphorylated peptides and proteins MIP TECHNOLOGIES AB (SE) 2016-05-03 US disclosed
US-20150297694-A1 CANCER DIAGNOSTIC AND THERAPEUTIC METHOD TARGETING MOLECULES EXPRESSED IN CANCER STEM CELLS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
WO-2011039735-A2 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2011-04-07 WO disclosed
EP-1250315-B1 FUNCTIONAL MONOMERS FOR MOLECULAR RECOGNITION AND CATALYSIS MIP TECHNOLOGIES AB (SE) 2009-04-15 EP disclosed
EP-1927604-A1 Functional monomers for molecular recognition and catalysis MIP Technologies AB (SE) 2008-06-04 EP disclosed
US-7332553-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2008-02-19 US disclosed
US-20070106041-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-05-10 US disclosed
US-7208557-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-04-24 US disclosed
US-20050159570-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB, RESEARCH PARK IDEON (SE) 2005-07-21 US disclosed
US-6870021-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2005-03-22 US disclosed
US-20030166798-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2003-09-04 US disclosed
EP-1250315-A1 FUNCTIONAL MONOMERS FOR MOLECULAR RECOGNITION AND CATALYSIS MIP Technologies AB (SE) 2002-10-23 EP disclosed
WO-2001055095-A1 FUNCTIONAL MONOMERS FOR MOLECULAR RECOGNITION AND CATALYSIS MIP TECHNOLOGIES AB (SE) 2001-08-02 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 (5 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-20150297694-A1 CANCER DIAGNOSTIC AND THERAPEUTIC METHOD TARGETING MOLECULES EXPRESSED IN CANCER STEM CELLS DDX3X, DDX1, DDX24 MEN1 2337/4885KMT2A 2830/4885MAPT 4498/4885
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT MEN1 2936/4885KMT2A 761/4885MAPT 1631/4885
US-20070106041-A1 Functional monomers for molecular recognition and catalysis PCNA, MUS81, PNMT MEN1 2193/4885KMT2A 932/4885MAPT 2581/4885
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF DDX3X, DDX21, DDX39B MEN1 1855/4885KMT2A 2610/4885MAPT 4074/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MEN1 2936/4885KMT2A 761/4885MAPT 1631/4885

“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.