SCHEMBL3034016

SCHEMBL3034016

N[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc23)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
POLB P06746 3/20 0.64
USP2 O75604 2/20 0.64
TNNI3 P19429 2/20 0.64
TNNT2 P45379 2/20 0.64
TNNC1 P63316 2/20 0.64
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57
THRB P10828 1/20 0.57
S100A4 P26447 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CTSB P07858 2/20 0.45
GSTP1 P09211 3/20 0.43
GSTM2 P28161 3/20 0.43

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
SCHEMBL3037436 1.00 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL29155892 1.00 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL12849477 0.81 MEN1 (0.67) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3500025 0.80 MEN1 (0.97) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL12849482 0.80 MEN1 (0.64) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL9231295 0.79 MEN1 (0.57) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL29443239 0.79 MEN1 (0.57) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL29443226 0.79 MEN1 (0.57) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL15101231 0.79 KMT2A (0.67) MEN1KMT2APOLBUSP2TNNI3
SCHEMBL3505138 0.79 MEN1 (1.00) MEN1KMT2APOLBUSP2TNNI3

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
EP-4443155-B1 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLOGIES CORP (US) 2026-05-13 EP disclosed
US-12487210-B2 Encapsulated pre-analytic workflows for flow-through devices, liquid chromatography and mass spectrometric analysis WATERS TECHNOLOGIES CORPORATION (US) 2025-12-02 US disclosed
EP-3491374-B1 ENCAPSULATED PRE-ANALYTIC WORKFLOW REAGENTS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLOGIES CORP (US) 2024-10-09 EP disclosed
EP-4443155-A2 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS Waters Technologies Corporation (US) 2024-10-09 EP disclosed
US-20220252553-A1 ENCAPSULATED PRE-ANALYTIC WORKFLOWS FOR FLOW-THROUGH DEVICES, LIQUID CHROMATOGRAPHY AND MASS SPECTROMETRIC ANALYSIS WATERS TECHNOLIGIES CORPORATION (US) 2022-08-11 US disclosed
US-11280766-B2 Encapsulated pre-analytic workflows for flow-through devices, liquid chromatography and mass spectrometric analysis WATERS TECHNOLOGIES CORPORATION (US) 2022-03-22 US disclosed
US-10738068-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates Centre National de la Recherche Scientifique—CNRS (FR) 2020-08-11 US disclosed
US-20180346500-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-12-06 US disclosed
US-10065979-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2018-09-04 US disclosed
EP-2193136-B1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NAT RECH SCIENT (FR) 2014-07-30 EP disclosed
EP-2193137-B1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NAT RECH SCIENT (FR) 2013-07-10 EP disclosed
EP-2193137-B1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NAT RECH SCIENT (FR) 2013-07-10 EP disclosed
US-20100226991-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS- (FR) 2010-09-09 US disclosed
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2010-08-19 US disclosed
EP-2193136-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE Centre National De La Recherche Scientifique-CNRS (FR) 2010-06-09 EP disclosed
WO-2009077671-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-06-25 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-20100226991-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE SLCO2A1, SLCO4C1, SLCO2B1 MEN1 1897/4885KMT2A 1069/4885POLB 2579/4885
US-10065979-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates SLC39A3, SLC40A1, AOC3 MEN1 1244/4885KMT2A 3040/4885POLB 3304/4885
US-20180346500-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES SLC39A3, SLC40A1, AOC3 MEN1 1221/4885KMT2A 3029/4885POLB 3277/4885
US-10738068-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates SLC40A1, FECH, FTH1 MEN1 1241/4885KMT2A 2554/4885POLB 2917/4885
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES SLC39A3, SLC40A1, AOC3 MEN1 1244/4885KMT2A 3040/4885POLB 3304/4885

“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.