SCHEMBL4716230

SCHEMBL4716230

CCN(CC)CCN(C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KIF11 P52732 3/20 0.35
▸ LSS P48449 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ P2RY14 Q15391 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PRF1 P14222 1/20 0.33
▸ WRN Q14191 1/20 0.32

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
SCHEMBL4716228 0.73 MCHR1 (0.43) MCHR1LMNAKCNH2ITGB3ITGA2B
SCHEMBL14705447 0.70 KIF11 (0.52) KIF11PRF1
SCHEMBL27961778 0.70 KIF11 (0.52) KIF11PRF1
SCHEMBL4846030 0.69 MCHR1 (0.42) MCHR1KCNH2
SCHEMBL14705469 0.68 KIF11 (0.50) KIF11PRF1WRN
SCHEMBL25165734 0.67 KIF11 (0.54) KIF11PRF1
SCHEMBL27773425 0.66 HDAC6 (0.48) MCHR1HDAC4HDAC6
SCHEMBL5050187 0.66 KIF11 (0.47) LMNAKIF11PRF1WRN
SCHEMBL14703090 0.66 KIF11 (0.43) KIF11PRF1WRN
SCHEMBL8521914 0.66 SNCA (0.52) KIF11PRF1WRN

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
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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B MCHR1 4485/4885LMNA 410/4885KIF11 4808/4885

“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.

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