SCHEMBL5680473

SCHEMBL5680473

CC1CC(=O)NN=C1c1ccc(N/N=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 10/20 0.54
▸ PDE3A Q14432 10/20 0.54
▸ TNNC1 P63316 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ GALR3 O60755 3/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL5680478 1.00 PDE3B (0.54) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL5678906 0.86 MAPT (0.55) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL5678902 0.86 MAPT (0.55) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL5678864 0.86 MAPT (0.52) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL5678859 0.86 MAPT (0.52) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL5681538 0.85 PDE3B (0.60) PDE3BPDE3ATNNC1MAPTALDH1A1
SCHEMBL5681543 0.85 PDE3B (0.60) PDE3BPDE3ATNNC1MAPTALDH1A1
SCHEMBL5677347 0.85 MAPT (0.52) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL5677353 0.85 MAPT (0.52) PDE3BPDE3ATNNC1MAPTGALR3
SCHEMBL6743999 0.85 PDE3B (0.54) PDE3BPDE3ATNNC1MAPTGALR3

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 PDE3B 1154/4885PDE3A 667/4885TNNC1 4/4885

“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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