SCHEMBL4712429

SCHEMBL4712429

CCN1CCC(NCc2ccc(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 2/20 0.48
▸ HTT P42858 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ BACE1 P56817 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ MCHR1 Q99705 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL4716922 0.84 BCHE (0.47) KMT2AMEN1BCHEACHEBACE1
SCHEMBL3457686 0.80 ACHE (0.64) KMT2AMEN1POLBBCHEACHE
SCHEMBL5012616 0.75 FTO (0.43) KMT2AALDH1A1MEN1SMN1; SMN2POLB
SCHEMBL4846267 0.74 KDM4E (0.37) BCHEACHEBACE1L3MBTL1
SCHEMBL4712426 0.72 NOS3 (0.44) KMT2AALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL13540696 0.71 ALDH1A1 (0.42) KMT2AALDH1A1MEN1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL11635578 0.70 L3MBTL1 (0.69) KMT2AALDH1A1MEN1SMN1; SMN2POLB
SCHEMBL2056342 0.70 ALDH1A1 (0.62) KMT2AALDH1A1MEN1SMN1; SMN2POLB
SCHEMBL8809235 0.69 HRH1 (0.55) KMT2AALDH1A1MEN1POLBHTT
SCHEMBL3456800 0.69 HRH3 (0.54) KMT2AMEN1BCHEACHEBACE1

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 9 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
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 KMT2A 2798/4885ALDH1A1 505/4885MEN1 3656/4885

“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.

Send feedback