SCHEMBL6015299

SCHEMBL6015299

CCOC(=O)/C=C/c1cn(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
CYP3A4 P08684 1/20 0.40
FDPS P14324 1/20 0.40
XPO1 O14980 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAOB P27338 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6015303 1.00 HDAC1 (0.46) HDAC1HDAC2CA12CA1CA2
SCHEMBL6377578 0.84 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6185157 0.84 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2154529 0.83 HDAC1 (0.52) HDAC1HDAC2CA12CA1CA2
SCHEMBL1310629 0.83 HDAC1 (0.52) HDAC1HDAC2CA12CA1CA2
SCHEMBL6373690 0.81 NPC1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6373696 0.81 NPC1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL31377124 0.81 LMNA (0.56) HDAC1HDAC2CA12CA7CA9
SCHEMBL6375776 0.81 FDPS (0.41) CA12CA1CA2CA7CA9
SCHEMBL6375780 0.81 FDPS (0.41) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439885-B1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS PFIZER ITALIA SRL (IT) 2006-08-30 EP disclosed
US-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
US-20050038112-A1 Simplified sarcondictyn derivatives as anti-tumor agents UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2005-02-17 US disclosed
EP-1492787-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
EP-1439885-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-07-28 EP disclosed
WO-2003087088-A2 (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-10-23 WO disclosed
WO-2003024529-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-03-27 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 (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-20050153964-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, PLA2G12A, ENPP2 HDAC1 3176/4885HDAC2 3333/4885CA12 4705/4885
US-20050038112-A1 Simplified sarcondictyn derivatives as anti-tumor agents STOM, TTN, TNNC1 HDAC1 2064/4885HDAC2 1309/4885CA12 1105/4885

“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.