SCHEMBL3835593

SCHEMBL3835593

COS(=O)(=O)[O-].C[N+]1(CCCCNc2nn3ccccc3c2[N+](=O)[O-])CCCCC1

nearest known ligand 0.31

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 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 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
SCHEMBL3840785 0.99 LMNA (0.31) LMNAALDH1A1POLB
SCHEMBL3837841 0.97 LMNA (0.32) LMNAALDH1A1POLB
SCHEMBL3840374 0.94 ALDH1A1 (0.32) LMNAALDH1A1
SCHEMBL3836622 0.93 ALDH1A1 (0.32) LMNAALDH1A1
SCHEMBL13646825 0.93 ALDH1A1 (0.34) LMNAALDH1A1POLB
SCHEMBL13646823 0.92 ALDH1A1 (0.33) LMNAALDH1A1POLB
SCHEMBL13714376 0.90 ALDH1A1 (0.34) LMNAALDH1A1POLB
SCHEMBL3834954 0.86 ALDH1A1 (0.35) LMNAALDH1A1POLB
SCHEMBL3840851 0.85 CTDSP1 (0.36) ALDH1A1
SCHEMBL13714319 0.85 ALDH1A1 (0.33) LMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 LMNA 613/4885ALDH1A1 264/4885POLB 1382/4885

“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.