SCHEMBL726036

SCHEMBL726036

[CH]1C=CN=C(N2CCNCC2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
PLD1 Q13393 2/20 0.41
NCF1 P14598 1/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ADRB1 P08588 5/20 0.35
HTR3E A5X5Y0 4/20 0.35
HTR3B O95264 4/20 0.35
HTR3A P46098 4/20 0.35
HTR3D Q70Z44 4/20 0.35
HTR3C Q8WXA8 4/20 0.35
SIGMAR1 Q99720 3/20 0.35
LMNA P02545 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 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
SCHEMBL4421143 0.83 ADRB2 (0.40) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL13611642 0.69 ADRB2 (0.46) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL27511861 0.63 ADRB2 (0.36) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL3712448 0.63 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL4418589 0.63 ADRB2 (0.35) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL74335 0.58 ADRB2 (1.00) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL894239 0.58 ADRB2 (1.00) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL7668734 0.58 PLD1 (0.47) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL11892889 0.58 HRH1 (0.39) ADRB2PLD1NCF1ALDH1A1KDM4E
SCHEMBL726035 0.58 ADRB2 (0.37) ADRB2PLD1NCF1ALDH1A1KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4694834-B2 2011-06-08 JP claimed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 EP claimed
JP-2006504646-A 2006-02-09 JP claimed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 EP claimed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 WO claimed
EP-2012789-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION(AMD) Prana Biotechnology Limited (AU) 2009-01-14 EP disclosed
WO-2007118276-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION(AMD) PRANA BIOTECHNOLOGY LTD (AU) 2007-10-25 WO disclosed
EP-1539700-A4 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LTD (AU) 2006-06-28 EP disclosed
US-20060089380-A1 8-Hydroxy quinoline derivatives PRANA BIOTECHNOLOGY LTD. (AU) 2006-04-27 US disclosed
EP-1539700-A1 8-HYDROXY QUINOLINE DERIVATIVES Prana Biotechnology Ltd (AU) 2005-06-15 EP disclosed
WO-2004007461-A1 8-HYDROXY QUINOLINE DERIVATIVES PRANA BIOTECHNOLOGY LIMITED (AU) 2004-01-22 WO 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-20060089380-A1 8-Hydroxy quinoline derivatives PARK7, HTT, SNCA ADRB2 1454/4885PLD1 4405/4885NCF1 1995/4885

“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.