SCHEMBL4843589

SCHEMBL4843589

[CH2]c1ccc(-c2ccc(I)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
SNCA P37840 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12980677 0.81 APP (0.42) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL15243106 0.77 APP (0.44) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL8995518 0.77 HSD17B1 (0.48) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL6228211 0.76 HSD17B1 (0.48) APPHSD17B1HSD17B2MEN1POLB
SCHEMBL2590561 0.74
SCHEMBL7590473 0.74 RAB9A (0.48) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL7586949 0.73 HSD17B1 (0.50) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL8721791 0.73 HDAC8 (0.47) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL6291458 0.73 HSD17B1 (0.52) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL4841994 0.72 CYP2A6 (0.37) APPESR1ESR2

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
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 APP 1237/4885ESR1 2686/4885ESR2 1808/4885

“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.