SCHEMBL497985

SCHEMBL497985

COc1ccc(-c2cnn(-c3ccccc3)c(=O)c2)cc1OCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PDE4B Q07343 14/20 0.44
PDE4A P27815 8/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
FPR2 P25090 1/20 0.43
GAK O14976 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL498367 0.82 PDE4A (0.55) HPGDSALDH1A1GAAMAPTPDE4B
SCHEMBL497846 0.78 PDE4A (0.47) HPGDSALDH1A1GAAMAPTPDE4B
SCHEMBL498060 0.78 PDE4A (0.47) HPGDSALDH1A1GAAMAPTPDE4B
SCHEMBL497845 0.78 PDE4A (0.47) HPGDSALDH1A1GAAMAPTPDE4B
SCHEMBL497980 0.78 PDE4B (0.46) HPGDSALDH1A1GAAMAPTPDE4B
SCHEMBL12059712 0.71 MCHR1 (0.61)
SCHEMBL7411191 0.70 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DFPR2
SCHEMBL3605856 0.69 PDE4D (0.50) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL10509392 0.69 ALDH1A1 (0.57) ALDH1A1MAPT
SCHEMBL3374953 0.69 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DFPR2

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-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT HPGDS 595/4885ALDH1A1 818/4885GAA 2350/4885

“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.