SCHEMBL4358906

SCHEMBL4358906

O=C(NC=Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.65
▸ KMT2A Q03164 7/20 0.65
▸ MAPT P10636 5/20 0.65
▸ DDX3X O00571 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ HTT P42858 2/20 0.65
▸ CTDSP1 Q9GZU7 1/20 0.65
▸ GAA P10253 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ NFE2L2 Q16236 1/20 0.55
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.54
▸ BLM P54132 1/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52

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
SCHEMBL4816796 1.00 MEN1 (0.65) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL17664266 0.87 MEN1 (0.57) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL6129390 0.82 MEN1 (0.90) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL6754380 0.82 TRPV1 (0.73) MEN1KMT2AMAPTPOLBHTT
SCHEMBL6754378 0.82 TRPV1 (0.73) MEN1KMT2AMAPTPOLBHTT
SCHEMBL23547197 0.82 TRPV1 (0.73) MEN1KMT2AMAPTPOLBHTT
SCHEMBL27582580 0.81 MEN1 (0.77) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL19398197 0.80 ALDH1A1 (0.79) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1047211 0.80 MEN1 (1.00) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL27782782 0.80 MEN1 (0.55) MEN1KMT2AMAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065365-A2 Functional monomers for molecular recognition and catalysis MIP Technologies AB (SE) 2009-06-03 — — 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 (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-20070106041-A1 Functional monomers for molecular recognition and catalysis PCNA, MUS81, PNMT MEN1 2193/4885KMT2A 932/4885MAPT 2581/4885

“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.

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