SCHEMBL4713071

SCHEMBL4713071

COCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
S1PR1 P21453 1/20 0.47
BRAF P15056 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAOB P27338 1/20 0.42
KIF11 P52732 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CHEK1 O14757 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
HTR5A P47898 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL20776842 0.95 SCN8A (0.57) SCN8AL3MBTL1S1PR1MEN1KMT2A
SCHEMBL14420391 0.82 HRH4 (0.56) SCN8AS1PR1MEN1KMT2AHRH4
SCHEMBL14021244 0.81 HRH4 (0.50) SCN8AS1PR1HRH4HRH3MAOB
SCHEMBL12449590 0.80 L3MBTL1 (0.58) L3MBTL1MEN1KMT2AALDH1A1HDAC1
SCHEMBL16794563 0.79 MAOB (0.59) SCN8AS1PR1HRH4HRH3MAOB
SCHEMBL3154124 0.79 RHOC (0.49) SCN8AL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4414015 0.79 SMN1; SMN2 (0.58) SCN8AS1PR1HRH4HRH3MAOB
SCHEMBL4422001 0.79 L3MBTL1 (0.61) L3MBTL1BRAFHRH4HRH3ALDH1A1
SCHEMBL14274243 0.78 MAOB (0.58) MEN1KMT2AMAOBKIF11
SCHEMBL6357114 0.78 MAOB (0.49) SCN8AS1PR1MEN1KMT2AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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 (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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B SCN8A 4646/4885L3MBTL1 3619/4885S1PR1 148/4885

“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.