SCHEMBL4739455

SCHEMBL4739455

Cc1[nH]c(=O)c(C#N)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 3/20 0.54
GALR3 O60755 1/20 0.54
PDE3A Q14432 4/20 0.48
PDE3B Q13370 3/20 0.48
LMNA P02545 3/20 0.48
PDE4A P27815 2/20 0.48
PDE5A O76074 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 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
SCHEMBL4514368 0.86 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11022101 0.82 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9478348 0.82 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL10746820 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9475931 0.82 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL7381624 0.82 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11023795 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL4098490 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL10853277 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11017408 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190265-B1 PYRIDONE ESTERS AS INOTROPIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-01-08 EP claimed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
EP-0190265-B1 PYRIDONE ESTERS AS INOTROPIC AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-01-08 EP disclosed
EP-0190265-A4 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1987-07-09 EP disclosed
US-4657919-A CARDIOVASCULAR DISORDERS E. I. DU PONT DE NEMOURS & CO. (US) 1987-04-14 US disclosed
EP-0190265-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-08-13 EP disclosed
WO-1986001202-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-02-27 WO disclosed
US-4555517-A Pyridone esters as inotropic agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-11-26 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 (2 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 KDM4E 2906/4885HSD17B10 3380/4885ALDH1A1 1634/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 KDM4E 1759/4885HSD17B10 3283/4885ALDH1A1 1274/4885

“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.