SCHEMBL3842216

SCHEMBL3842216

C[n+]1ccn(-c2nn3ccccc3c2[N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR9 Q9NR96 1/20 0.32
PABPC1 P11940 1/20 0.31
PDE5A O76074 2/20 0.31
PDE3A Q14432 2/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL3839704 0.79 EGFR (0.35) ALDH1A1NPSR1PDE5APDE3ACYP1A2
Hydrochloric Acid SCHEMBL3853460 0.76 EGFR (0.34) LMNAEGFR
SCHEMBL3839776 0.75 ALDH1A1 (0.35) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL1840378 0.75 ALDH1A1 (0.51) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL13714457 0.73 ALDH1A1 (0.41) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL5849034 0.73 MAPT (0.42) MAPTALDH1A1ATMNPSR1LMNA
SCHEMBL1843660 0.73 CYP1A2 (0.44) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL3837853 0.73 MAPT (0.46) MAPTHTTLMNACYP1A2MEN1
SCHEMBL7826915 0.72 LMNA (0.40) MAPTALDH1A1MITFHTTATM
SCHEMBL28787380 0.71 MAPT (0.33) MAPTALDH1A1MITFHTTATM

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 7 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-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
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 MAPT 1239/4885ALDH1A1 264/4885MITF 1162/4885

“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.