SCHEMBL5678858

SCHEMBL5678858

COc1cccc(/C=N\Nc2ccc(C3=NNC(=O)CC3C)cc2)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ KDM4E B2RXH2 5/20 0.55
▸ GAA P10253 4/20 0.55
▸ POLB P06746 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ NPC1 O15118 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PKM P14618 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ KLF5 Q13887 1/20 0.54
▸ PDE3B Q13370 7/20 0.52
▸ PDE3A Q14432 7/20 0.52
▸ TNNC1 P63316 1/20 0.52

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
SCHEMBL5678860 1.00 MAPT (0.57) MAPTSMN1; SMN2KDM4EGAAPOLB
SCHEMBL5677305 0.91 SMN1; SMN2 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1PDE3B
SCHEMBL5677301 0.91 SMN1; SMN2 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1PDE3B
SCHEMBL5677360 0.89 PDE3B (0.56) MAPTSMN1; SMN2KDM4EGAAPOLB
SCHEMBL5677358 0.89 PDE3B (0.56) MAPTSMN1; SMN2KDM4EGAAPOLB
SCHEMBL5677238 0.84 PDE3B (0.58) MAPTSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL5677243 0.84 PDE3B (0.58) MAPTSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL5676756 0.81 PDE3B (0.56) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL5676750 0.81 PDE3B (0.56) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL5679147 0.81 PDE3B (0.58) MAPTSMN1; SMN2KDM4EALDH1A1PDE3B

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 MAPT 4871/4885SMN1; SMN2 3452/4885KDM4E 3316/4885

“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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