SCHEMBL498300

SCHEMBL498300

COc1ccc(-c2cnn(C)c(=O)c2)cc1CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.43
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
POLB P06746 1/20 0.37
BRD4 O60885 4/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B1 P14061 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL497699 0.76 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL6268908 0.74 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1POLBHPGD
SCHEMBL498002 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL497850 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL497851 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL497890 0.71 PDE4B (0.57) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL1373496 0.70 HTR3A (0.56) HTR3ABACE1KDM4EPRMT5WDR77
SCHEMBL498044 0.69 PDE4B (0.46) HTR3ABACE1POLBPDE4APDE4B
SCHEMBL7676117 0.68 CYP11B2 (0.51) BACE1KDM4EHPGDPDE4A
SCHEMBL497931 0.68 ALDH1A1 (0.54) ALDH1A1RXFP1NPSR1POLBHPGD

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 HTR3A 1445/4885GRIN1 3561/4885GRIN2B 4371/4885

“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.