SCHEMBL3839717

SCHEMBL3839717

COS(=O)(=O)[O-].C[n+]1cccc(CCNc2nn3ccccc3c2[N+](=O)[O-])c1

nearest known ligand 0.38

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 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 8/20 0.37
HPGD P15428 4/20 0.37
GAA P10253 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
ALDH1A1 P00352 6/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13714327 0.93 LMNA (0.42) LMNATP53MAPTHPGDGAA
SCHEMBL3837158 0.92 CA1 (0.39) LMNATP53MAPTHPGDGAA
SCHEMBL14493158 0.83 MAPT (0.35) LMNATP53MAPTHPGDGAA
SCHEMBL13714436 0.83 MAPT (0.43) LMNATP53MAPTHPGDGAA
SCHEMBL3835560 0.81 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL15016528 0.81 POLB (0.35) LMNAMAPTHPGDGAACA1
SCHEMBL3837832 0.79 POLB (0.34) LMNAMAPTHPGDCA1CA2
SCHEMBL3835785 0.78 ALDH1A1 (0.32) LMNAMAPTHPGDGAACA1
SCHEMBL3836299 0.77 ALDH1A1 (0.32) MAPTCA1CA2CA7CA13
SCHEMBL3836622 0.77 ALDH1A1 (0.32) LMNACA1CA2CA7CA13

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 613/4885TP53 1439/4885MAPT 1239/4885

“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.