SCHEMBL3836099

SCHEMBL3836099

CS(=O)(=O)OCCNc1nn2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA13 Q8N1Q1 3/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 4/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
EGFR P00533 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
LMNA P02545 4/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
MIF P14174 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
SCHEMBL3836623 0.93 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL3839745 0.92 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL3836284 0.82 LCK (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1841384 0.81 ALDH1A1 (0.38) ALDH1A1MAPTPOLBHPGDGAA
SCHEMBL1843356 0.79 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2NPC1POLB
SCHEMBL1839990 0.79 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3835744 0.79 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL13646806 0.79 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3841469 0.79 MAPT (0.34) ALDH1A1MAPTNPC1RAB9ACA1
SCHEMBL15016528 0.78 POLB (0.35) ALDH1A1MAPTSMN1; SMN2CA1CA2

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 10 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
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-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
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 ALDH1A1 264/4885MAPT 1239/4885SMN1; SMN2 4776/4885

“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.