SCHEMBL13714366

SCHEMBL13714366

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.33
MIF P14174 2/20 0.33
PDE5A O76074 3/20 0.33
PDE3A Q14432 2/20 0.33
PDE4B Q07343 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL13646843 0.89 MIF (0.36) ALDH1A1MIFPDE5APDE3APDE4B
SCHEMBL3841469 0.88 MAPT (0.34) ALDH1A1NPSR1POLBHPGDMAPT
SCHEMBL13714439 0.85 ALDH1A1 (0.34) ALDH1A1NPSR1POLBHPGDMAPT
SCHEMBL13714356 0.84 ALDH1A1 (0.37) ALDH1A1POLBHPGDMAPTGAA
SCHEMBL3836284 0.82 LCK (0.40) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL1843677 0.81 ALDH1A1 (0.40) ALDH1A1MIFPDE5APDE3APDE4B
SCHEMBL15016528 0.81 POLB (0.35) ALDH1A1POLBHPGDMAPTGAA
SCHEMBL1841384 0.81 ALDH1A1 (0.38) ALDH1A1MIFPDE5APDE3APDE4B
SCHEMBL3839772 0.80 MIF (0.34) ALDH1A1MIFPDE5APDE3APDE4B
SCHEMBL1843356 0.79 MAPT (0.47) ALDH1A1MEN1CYP1A2CYP3A4BLM

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 3 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

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 264/4885MIF 4867/4885PDE5A 743/4885

“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.