SCHEMBL3841560

SCHEMBL3841560

COS(=O)(=O)[O-].C[N+](C)(C)CCOc1nn2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TXNRD1 Q16881 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
SCHEMBL13714400 0.92 CNR2 (0.35) CNR2DRD2DRD4DRD3LMNA
SCHEMBL15016528 0.81 POLB (0.35) POLBLMNASMN1; SMN2
SCHEMBL3835758 0.81 CHRNB2 (0.34) LMNA
SCHEMBL3837832 0.80 POLB (0.34) POLBLMNASMN1; SMN2
SCHEMBL1844055 0.78 KAT2B (0.44) POLBCNR2DRD3LMNA
SCHEMBL13016465 0.77 EGFR (0.36) POLBCNR2DRD2DRD4DRD3
SCHEMBL1842037 0.77 MAPT (0.37) CNR2LMNASMN1; SMN2
SCHEMBL7826915 0.75 LMNA (0.40) LMNASMN1; SMN2
SCHEMBL3835785 0.75 ALDH1A1 (0.32) LMNASMN1; SMN2
SCHEMBL3836299 0.74 ALDH1A1 (0.32)

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 POLB 1382/4885CNR2 4228/4885DRD2 3458/4885

“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.