SCHEMBL4712426

SCHEMBL4712426

CCN1CCC(N(C)c2ccc(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ NOS2 P35228 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TOP2A P11388 2/20 0.38
▸ TOP2B Q02880 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 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
SCHEMBL4716921 0.85 PRMT1 (0.43) L3MBTL1KCNH2TOP2ATOP2BKDM4E
SCHEMBL4712429 0.72 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL8809239 0.67 NPC1 (0.46) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL10287616 0.66 DRD2 (0.77) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL14079174 0.64 GFER (0.47) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL1284095 0.64 NOS3 (0.42) NOS3NOS1NOS2KMT2AKCNH2
SCHEMBL4714100 0.64 NOS3 (0.40) NOS3NOS1NOS2KMT2AALDH1A1
SCHEMBL18390082 0.63 ALDH1A1 (0.67) KMT2AALDH1A1MAPTHTTL3MBTL1
SCHEMBL3457686 0.63 ACHE (0.64) KMT2AMEN1RAB9AHRH3
SCHEMBL10909232 0.63 ALDH1A1 (0.57) KMT2AALDH1A1SMN1; SMN2MEN1MAPT

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 4 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

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 NOS3 2459/4885NOS1 2211/4885NOS2 2154/4885

“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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