SCHEMBL3835758

SCHEMBL3835758

COS(=O)(=O)[O-].C[N+]1(CCOc2nn3ccccc3c2[N+](=O)[O-])CCCCC1

nearest known ligand 0.34

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 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA7 P36544 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNA10 Q9GZZ6 3/20 0.34
CHRNA9 Q9UGM1 3/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 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
SCHEMBL13714359 0.93 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3840374 0.83 ALDH1A1 (0.32) LMNAPKM
SCHEMBL3836622 0.82 ALDH1A1 (0.32) LMNAPKM
SCHEMBL3837841 0.82 LMNA (0.32) LMNA
SCHEMBL3835593 0.81 LMNA (0.31) LMNA
SCHEMBL3841560 0.81 POLB (0.35) LMNA
SCHEMBL3840785 0.80 LMNA (0.31) LMNA
SCHEMBL3520804 0.77 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3836264 0.75 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13646840 0.75 HTT (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 CHRNB2 1840/4885CHRNB4 1294/4885CHRNA3 1885/4885

“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.