SCHEMBL5677163

SCHEMBL5677163

COc1c(OC(C)=O)ccc(C(=NN)c2ccc(C3=NNC(=O)CC3C)cc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 13/20 0.43
▸ PDE3B Q13370 12/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ PDE4A P27815 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ MAPT P10636 5/20 0.42
▸ GALR3 O60755 3/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SLFN12 Q8IYM2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GFER P55789 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
SCHEMBL5677155 0.78 PDE3B (0.46) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5677160 0.78 PDE3B (0.46) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5681207 0.72 SMN1; SMN2 (0.51) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5676841 0.72 PDE3B (0.52) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5676837 0.72 PDE3B (0.52) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5677129 0.70 PDE3B (0.46) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5677114 0.70 PDE3B (0.46) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL5675191 0.70 PDE3B (0.64) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL9462069 0.68 PDE3B (0.64) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL9658451 0.68 PDE3B (0.64) PDE3APDE3BPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265871-B1 PYRIDAZINYL PHENYL HYDRAZONES USEFUL AGAINST CONGESTIVE HEART FAILURE ORION CORP (FI) 2006-02-08 — — EP disclosed
US-6699868-B2 INCREASE THE CALCIUM SENSITIVITY OF CONTRACTILE PROTEINS OF THE CARDIAC MUSCLE ORION CORPORATION (FI) 2004-03-02 — — US disclosed
US-20030158200-A1 Pyridazinyl phenyl hydrazones useful against congestive heart failure ORION CORPORATION (FI) 2003-08-21 — — US disclosed
EP-1265871-A1 PYRIDAZINYL PHENYL HYDRAZONES USEFUL AGAINST CONGESTIVE HEART FAILURE ORION CORPORATION (FI) 2002-12-18 — — EP disclosed
WO-2001068611-A1 PYRIDAZINYL PHENYL HYDRAZONES USEFUL AGAINST CONGESTIVE HEART FAILURE ORION CORPORATION (FI) 2001-09-20 — — 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-20030158200-A1 Pyridazinyl phenyl hydrazones useful against congestive heart failure FABP3, TNNI3, TNNT2 PDE3A 667/4885PDE3B 1154/4885PDE4B 2809/4885

“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.

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