SCHEMBL3836299

SCHEMBL3836299

CC(C)[N+](C)(CCNc1nn2ccccc2c1[N+](=O)[O-])C(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.32

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 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
MAPT P10636 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
SCHEMBL13714366 0.92 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL15016528 0.90 POLB (0.35) ALDH1A1CA1CA2CA7CA13
SCHEMBL3835785 0.87 ALDH1A1 (0.32) ALDH1A1CA1CA2CA7CA13
SCHEMBL3837832 0.86 POLB (0.34) ALDH1A1CA1CA2CA7CA13
SCHEMBL13646843 0.81 MIF (0.36) ALDH1A1MAPT
SCHEMBL3841469 0.81 MAPT (0.34) ALDH1A1CA1CA2CA7CA13
SCHEMBL13714439 0.78 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL3837158 0.78 CA1 (0.39) ALDH1A1CA1CA2CA7CA13
SCHEMBL3836622 0.78 ALDH1A1 (0.32) ALDH1A1CA1CA2CA7CA13
SCHEMBL3840374 0.77 ALDH1A1 (0.32) ALDH1A1

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 ALDH1A1 264/4885CA1 1530/4885CA2 1068/4885

“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.