SCHEMBL1344178

SCHEMBL1344178

CN(CCCN)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.60
MAPT P10636 4/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.53
POLB P06746 3/20 0.52
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL31212354 1.00 KAT2B (0.60) KAT2BMAPTKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8495347 0.99 KAT2B (0.60) KAT2BMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18474151 0.89 MAPT (0.61) KAT2BMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10622798 0.87 KAT2B (0.72) KAT2BMAPTKDM4EALDH1A1POLB
SCHEMBL17208819 0.86 SMN1; SMN2 (0.69) KAT2BMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2228520 0.86 KAT2B (0.66) KAT2BMAPTKDM4EALDH1A1POLB
SCHEMBL17923845 0.84 KAT2B (0.64) KAT2BMAPTKDM4EALDH1A1POLB
SCHEMBL4557828 0.84 KAT2B (0.64) KAT2BMAPTKDM4EALDH1A1POLB
SCHEMBL30413993 0.84 KAT2B (0.64) KAT2BMAPTKDM4EALDH1A1POLB
SCHEMBL2228171 0.84 KAT2B (0.64) KAT2BMAPTKDM4EALDH1A1POLB

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 93 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
EP-3103437-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-12-20 EP disclosed
US-9841426-B2 Intracellular organelle peptide targeted enzyme substrates MARKER GENE TECHNOLOGIES, INC (US) 2017-12-12 US disclosed
EP-2521531-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-07-12 EP disclosed
US-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 US disclosed
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-02-09 US 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
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US 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 3878/4885MAPT 2204/4885KDM4E 4790/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 KAT2B 942/4885MAPT 114/4885KDM4E 2231/4885
US-20180120317-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES GLG1, GBA3, MIA3 KAT2B 3878/4885MAPT 2204/4885KDM4E 4790/4885

“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.