SCHEMBL3839764

SCHEMBL3839764

COS(=O)(=O)[O-].C[N+]1(C)CCN(c2nn3ccccc3c2[N+](=O)[O-])CC1

nearest known ligand 0.39

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 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
CHRNB2 P17787 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL13714470 0.91 CYP3A4 (0.38) L3MBTL1CYP3A4ALOX15CHRNB2NFKB1
SCHEMBL3835685 0.80 ALDH1A1 (0.33) L3MBTL1MAPK1HSD11B1ALDH1A1MAPT
SCHEMBL1843660 0.78 CYP1A2 (0.44) L3MBTL1MAPK1NPC1RAB9AMEN1
SCHEMBL3837853 0.77 MAPT (0.46) CYP3A4MEN1POLBKMT2ALMNA
SCHEMBL3836622 0.73 ALDH1A1 (0.32) LMNAPKMALDH1A1
SCHEMBL3840374 0.73 ALDH1A1 (0.32) LMNAPKMALDH1A1
SCHEMBL3835758 0.73 CHRNB2 (0.34) L3MBTL1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL3840851 0.71 CTDSP1 (0.36) L3MBTL1MAPK1ALDH1A1CYP2C9
SCHEMBL3837841 0.71 LMNA (0.32) POLBLMNAALDH1A1
SCHEMBL1841672 0.71 WDR5 (0.39) L3MBTL1ALDH1A1

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 9 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-2790660-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'Oréal (FR) 2014-10-22 EP disclosed
WO-2013087933-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 WO 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 L3MBTL1 4824/4885CYP3A4 1460/4885ALOX15 2318/4885
US-20140352715-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, HADHB, PPIF L3MBTL1 4853/4885CYP3A4 497/4885ALOX15 1567/4885

“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.