SCHEMBL4588828

SCHEMBL4588828

CCS(=O)(=O)N1CCC(c2cn(COCC[Si](C)(C)C)c3c(C#N)cc(Br)cc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5037990 0.85 IRAK4 (0.32)
SCHEMBL5035296 0.85 HRH2 (0.33) HRH2HTT
SCHEMBL5033942 0.85 NPC1 (0.36) NPC1LMNAHTTRAB9A
SCHEMBL5034357 0.84 IKBKB (0.32) HRH2
SCHEMBL5034411 0.84 HRH2 (0.32) HRH2
SCHEMBL5035303 0.81 CYP1A2 (0.32)
SCHEMBL14031214 0.71 KMT2A (0.35) HRH2
SCHEMBL5040242 0.70 IKBKB (0.49) LMNA
SCHEMBL31482762 0.69 GPR35 (0.37)
SCHEMBL27174889 0.69 GPR35 (0.37)

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-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA HRH2 270/4885NPC1 3856/4885LMNA 3169/4885

“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.