SCHEMBL3839641

SCHEMBL3839641

O=[N+]([O-])c1c(NCCN2CCOCC2)nn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.44
TOP2A P11388 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPY1R P25929 1/20 0.44
PKM P14618 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL1843595 0.90 ALDH1A1 (0.51) HTTKDM4ELMNAMEN1KMT2A
SCHEMBL1842899 0.89 ALDH1A1 (0.53) HTTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1844288 0.88 KAT2B (0.49) HTTKMT2AALDH1A1
SCHEMBL3837169 0.82 ALDH1A1 (0.46) HTTMAPK1KDM4ELMNAPOLB
SCHEMBL3837155 0.81 HRH3 (0.47) HTTMAPK1KDM4ELMNAPOLB
SCHEMBL3839762 0.81 HRH3 (0.48) HTTMAPK1KDM4ELMNAALDH1A1
SCHEMBL1842972 0.80 SMN1; SMN2 (0.49) HTTMAPK1KDM4ELMNAMEN1
SCHEMBL13714320 0.80 CTDSP1 (0.39) HTTMAPK1KDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL1840278 0.79 SMN1; SMN2 (0.48) HTTMAPK1KDM4ELMNAMEN1
SCHEMBL3836284 0.78 LCK (0.40) HTTMAPK1LMNAMEN1KMT2A

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 8 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-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 HTT 3840/4885MAPK1 943/4885KDM4E 1387/4885

“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.