SCHEMBL3839737

SCHEMBL3839737

O=[N+]([O-])c1c(NCCCCO)nn2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 3/20 0.39
GSTM2 P28161 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PDE5A O76074 1/20 0.36
EGFR P00533 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34

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
SCHEMBL3839943 0.99 GSTM2 (0.40) MAPTCDK5CDK5R1ALDH1A1LMNA
SCHEMBL1843356 0.91 MAPT (0.47) MAPTCDK5CDK5R1ALDH1A1POLB
SCHEMBL3835731 0.85 ALDH1A1 (0.45) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL3836284 0.83 LCK (0.40) MAPTCDK5CDK5R1ALDH1A1LMNA
SCHEMBL13714356 0.83 ALDH1A1 (0.37) MAPTCDK5CDK5R1ALDH1A1LMNA
SCHEMBL3837155 0.82 HRH3 (0.47) ALDH1A1LMNAPOLBKDM4EHTT
SCHEMBL3836623 0.82 ALDH1A1 (0.35) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3839762 0.81 HRH3 (0.48) ALDH1A1LMNAKDM4EHTT
SCHEMBL3839745 0.81 ALDH1A1 (0.35) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1839990 0.80 ALDH1A1 (0.43) MAPTALDH1A1LMNAPOLBSMN1; SMN2

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 MAPT 1239/4885CDK5 1603/4885CDK5R1 2121/4885

“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.