SCHEMBL3660855

SCHEMBL3660855

CCOC(/C=C/N(C)C)=C(/C#N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CASP1 P29466 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
PSMD14 O00487 1/20 0.30
RECQL P46063 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3660857 1.00 CYP2C9 (0.44) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL9869703 0.88 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2593542 0.88 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2593541 0.88 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL15313611 0.88 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL30174225 0.85 CYP2C9 (0.45) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL25533356 0.85 CYP2C9 (0.45) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL4089002 0.82 ALDH1A1 (0.38) CYP2C9ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL17091305 0.79 CYP2C9 (0.49) CYP2C9ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL17091307 0.79 CYP2C9 (0.49) CYP2C9ALDH1A1L3MBTL1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235001-B1 PROCESS FOR PREPARING PYRIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-8754230-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140012007-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-09 US disclosed
US-8558000-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
EP-2235001-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER Bristol-Myers Squibb Company (US) 2010-10-06 EP disclosed
WO-2009094427-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-30 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-20140012007-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER PAM, NQO1, PDXK CYP2C9 72/4885ALDH1A1 88/4885L3MBTL1 4780/4885

“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.