SCHEMBL2957009

SCHEMBL2957009

O=C(O)C(=Cc1ccccc1)Cc1ccccc1.[Pd]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.96
CYP2C9 P11712 1/20 0.96
RECQL P46063 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.46
CTBP2 P56545 1/20 0.44
MME P08473 2/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TBXAS1 P24557 2/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL58023 0.98 CYP3A4 (1.00) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL58024 0.98 CYP3A4 (1.00) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL15419989 0.87 CYP3A4 (0.80) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL28209668 0.87 CYP3A4 (0.80) CYP3A4CYP2C9CES2CES1AKR1B1
SCHEMBL30814247 0.87 CYP3A4 (0.79) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL453849 0.86 CYP3A4 (0.79) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL453850 0.86 CYP3A4 (0.79) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL393605 0.85 CYP3A4 (0.71) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL509572 0.85 CYP3A4 (0.71) CYP3A4CYP2C9RECQLCES2CES1
SCHEMBL27842426 0.85 CYP3A4 (0.71) CYP3A4CYP2C9RECQLCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 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-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B CYP3A4 61/4885CYP2C9 134/4885RECQL 848/4885

“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.