SCHEMBL1344180

SCHEMBL1344180

NCCCCNCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 7/20 0.60
▸ POLB P06746 3/20 0.55
▸ MAPT P10636 3/20 0.54
▸ PKM P14618 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ PRSS1 P07477 4/20 0.52
▸ DHFR P00374 1/20 0.51

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
Hydrochloric Acid SCHEMBL21273381 0.99 KAT2B (0.61) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL2228520 0.95 KAT2B (0.66) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL30413993 0.93 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL2228171 0.93 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL4557828 0.93 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL17923845 0.93 KAT2B (0.64) KAT2BPOLBMAPTPKMKDM4E
Hydrochloric Acid SCHEMBL4699216 0.92 KAT2B (0.65) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL10622798 0.90 KAT2B (0.72) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL8147273 0.87 MAPT (0.65) KAT2BPOLBMAPTPKMKDM4E
SCHEMBL502704 0.84 KAT2B (0.58) KAT2BPOLBMAPTPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680264-B2 Methods of modulating melanosome pH and melanin level in cells CORNELL UNIVERSITY (US) 2023-06-20 — — US disclosed
US-10401361-B2 Intracellular organelle peptide targeted enzyme substrates MARKER GENE TECHNOLOGIES, INC. (US) 2019-09-03 — — US disclosed
US-20190256856-A1 METHODS OF MODULATING MELANOSOME PH AND MELANIN LEVEL IN CELLS CORNELL UNIVERSITY (US) 2019-08-22 — — US disclosed
US-20180120317-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES MARKER GENE TECHNOLOGIES, INC. 2018-05-03 — — US disclosed
WO-2018006039-A1 METHODS OF MODULATING MELANOSOME PH AND MELANIN LEVEL IN CELLS CORNELL UNIVERSITY (US) 2018-01-04 — — WO disclosed
US-9841426-B2 Intracellular organelle peptide targeted enzyme substrates MARKER GENE TECHNOLOGIES, INC (US) 2017-12-12 — — US disclosed
US-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 — — US disclosed
US-20150219654-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES MARKER GENE TECHNOLOGIES, INC. 2015-08-06 — — US disclosed
US-20130252268-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2013-09-26 — — US disclosed
US-8460862-B2 Enzyme substrates for visualizing acidic organelles Marker Gene Technologies (US) 2013-06-11 — — US disclosed
WO-2000017643-A2 A SYSTEM FOR CELL-BASED SCREENING CELLOMICS, INC. (US) 2000-03-30 — — WO disclosed
EP-0983498-A1 A SYSTEM FOR CELL-BASED SCREENING Cellomics, Inc. (US) 2000-03-08 — — EP disclosed
WO-2000003246-A2 A SYSTEM FOR CELL-BASED SCREENING CELLOMICS, INC. (US) 2000-01-20 — — WO disclosed
WO-1999063108-A1 NOVEL PEROXIDASE SUBSTRATES AND THEIR USE IN CATALYZED REPORTER DEPOSITION NEN LIFE SCIENCE PRODUCTS, INC. (US) 1999-12-09 — — WO disclosed
EP-0938675-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL plc (GB) 1999-09-01 — — EP disclosed
US-5869689-A DIAZAINDACENE METHINE DYES MOLECULAR PROBES, INC (US) 1999-02-09 — — US disclosed
US-5863748-A p-Hydroxycinnamoyl-containing substrates for an analyte dependent enzyme activation system NEW LIFE SCIENCE PRODUCTS, INC. (US) 1999-01-26 — — US disclosed
WO-1998038490-A9 A SYSTEM FOR CELL-BASED SCREENING — 1999-01-21 — — WO disclosed
WO-1998038490-A1 A SYSTEM FOR CELL-BASED SCREENING CELLOMICS, INC. (US) 1998-09-03 — — WO disclosed
WO-1998015829-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL PLC (GB) 1998-04-16 — — 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 (3 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-10401361-B2 Intracellular organelle peptide targeted enzyme substrates GLG1, GBA3, MIA3 KAT2B 3878/4885POLB 1486/4885MAPT 2204/4885
US-20180120317-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES GLG1, GBA3, MIA3 KAT2B 3878/4885POLB 1486/4885MAPT 2204/4885
US-20150219654-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES GLG1, GBA3, MIA3 KAT2B 3878/4885POLB 1486/4885MAPT 2204/4885

“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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