SCHEMBL3835685

SCHEMBL3835685

COS(=O)(=O)[O-].C[N+](C)(C)C1CCN(c2nn3ccccc3c2[N+](=O)[O-])C1

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL13714429 0.93 ALDH1A1 (0.34) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL13646821 0.84 HTR1A (0.31) ALDH1A1NPSR1
SCHEMBL3839764 0.80 L3MBTL1 (0.32) ALDH1A1L3MBTL1MAPTMAPK1HSD11B1
SCHEMBL1841672 0.77 WDR5 (0.39) ALDH1A1NPSR1L3MBTL1
SCHEMBL3840205 0.74 DRD2 (0.33)
Hydrochloric Acid SCHEMBL20336233 0.73 HTR1A (0.32)
Hydrochloric Acid SCHEMBL3858187 0.73 HTR1A (0.32)
SCHEMBL1843660 0.73 CYP1A2 (0.44) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL3837853 0.72 MAPT (0.46) MAPT
SCHEMBL13714470 0.70 CYP3A4 (0.38) L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790660-B1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF ORÉAL L (FR) 2016-03-23 EP disclosed
US-9078828-B2 Cationic tetrahydropyrazolopyridines, dye composition comprising such oxidation bases, implementation process therefor and use thereof L'OREAL (FR) 2015-07-14 US disclosed
US-20140352715-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-04 US disclosed
EP-1792903-B1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL (FR) 2009-10-14 EP disclosed
US-7578855-B2 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'ORéAL S.A. (FR) 2009-08-25 US disclosed
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 2007-06-21 US disclosed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 EP 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 (2 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-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof KRT18, COX5A, PNPO ALDH1A1 264/4885NPSR1 4324/4885L3MBTL1 4824/4885
US-20140352715-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, HADHB, PPIF ALDH1A1 698/4885NPSR1 3635/4885L3MBTL1 4853/4885

“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.