SCHEMBL3852453

SCHEMBL3852453

Nc1c(NCCCn2cc[n+](CCO)c2)nn2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAPT P10636 1/20 0.31
PON1 P27169 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
SCHEMBL17849169 0.94 MAOA (0.30) MAOAMAOBGRIN1GRIN2AGRIN2B
SCHEMBL3842610 0.83 MEN1 (0.37) SOD1MEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL3854115 0.81 MAPK1 (0.36) SOD1MEN1ALDH1A1KMT2AMAPT
SCHEMBL12659928 0.81 SOD1 (0.41) SOD1ALDH1A1LMNAMAPT
SCHEMBL13714459 0.80 MEN1 (0.39) SOD1MEN1KMT2AMAOAMAOB
SCHEMBL3859983 0.78 EGFR (0.30)
SCHEMBL5154934 0.77 MEN1 (0.37) SOD1MEN1ALDH1A1KMT2ALMNA
SCHEMBL1231689 0.77 KDM4E (0.45) MEN1ALDH1A1KMT2ALMNAMAPT
Bromide SCHEMBL6271419 0.76 MEN1 (0.38) SOD1MEN1ALDH1A1KMT2ALMNA
SCHEMBL1231730 0.76 PON1 (0.34) MEN1KMT2AMAPTPON1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP claimed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
EP-2155153-B1 DYEING COMPOSITION COMPRISING A SPECIFIC AMINOPYRAZOLOPYRIDINE OXIDATION BASE, A COUPLER AND A SPECIFIC SURFACTANT L'ORÉAL (FR) 2017-03-01 EP claimed
EP-2651935-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER ORÉAL L (FR) 2016-11-23 EP claimed
US-7578856-B2 Dyeing compositions comprising at least one aminopyrazolopyridine oxidation base, at least one coupler and at least one C4-C30 polyol and methods and use thereof L'OREAL S.A. (FR) 2009-08-25 US claimed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP claimed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP claimed
EP-1992329-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base and a specific associative polymer L'Oréal (FR) 2008-11-19 EP claimed
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler L'OREAL (FR) 2023-08-22 US disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
US-20170354580-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE L'OREAL (FR) 2017-12-14 US disclosed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP disclosed
EP-2155153-B1 DYEING COMPOSITION COMPRISING A SPECIFIC AMINOPYRAZOLOPYRIDINE OXIDATION BASE, A COUPLER AND A SPECIFIC SURFACTANT L'ORÉAL (FR) 2017-03-01 EP disclosed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP disclosed
EP-1992331-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol L'Oreal (FR) 2008-11-19 EP disclosed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP disclosed
EP-1992330-A2 Process for colouring keratinous fibres comprising the application of an aminopyrazolopyridine oxidation base in the absence of oxidizing agent L'Oreal (FR) 2008-11-19 EP 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 (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-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof KRT18, COX5A, PNPO SOD1 1497/4885MEN1 4499/4885ALDH1A1 264/4885
US-11730688-B2 Composition for dyeing the hair, comprising a heterocyclic oxidation base and a 2-amino-5-ethylphenol coupler KRT18, COX5B, COX5A SOD1 3822/4885MEN1 4329/4885ALDH1A1 522/4885
US-20170354580-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE KRT18, DSG1, SQOR SOD1 842/4885MEN1 2015/4885ALDH1A1 9/4885

“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.