SCHEMBL3841469

SCHEMBL3841469

C[N+](C)(C)CCNc1nn2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 9/20 0.34
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 3/20 0.33
EGFR P00533 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TP53 P04637 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MITF O75030 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
SCHEMBL13714356 0.93 ALDH1A1 (0.37) MAPTHPGDGAAALDH1A1POLB
SCHEMBL15016528 0.91 POLB (0.35) MAPTHPGDGAAALDH1A1POLB
SCHEMBL13714439 0.89 ALDH1A1 (0.34) MAPTHPGDGAAALDH1A1POLB
SCHEMBL13714366 0.88 ALDH1A1 (0.33) MAPTHPGDGAAALDH1A1POLB
SCHEMBL3836284 0.86 LCK (0.40) MAPTHPGDGAAALDH1A1POLB
SCHEMBL3837832 0.85 POLB (0.34) MAPTHPGDALDH1A1POLBLMNA
SCHEMBL1843356 0.83 MAPT (0.47) MAPTGAAALDH1A1POLBEGFR
SCHEMBL1839990 0.83 ALDH1A1 (0.43) MAPTHPGDGAAALDH1A1POLB
SCHEMBL13646806 0.82 MAPT (0.40) MAPTHPGDGAAALDH1A1POLB
SCHEMBL3835744 0.82 ALDH1A1 (0.50) MAPTGAAALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 MAPT 1239/4885HPGD 368/4885GAA 4432/4885
US-20140352715-A1 CATIONIC TETRAHYDROPYRAZOLOPYRIDINES, DYE COMPOSITION COMPRISING SUCH OXIDATION BASES, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, HADHB, PPIF MAPT 1561/4885HPGD 356/4885GAA 3908/4885

“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.