SCHEMBL5482305

SCHEMBL5482305

CC(C)(C)[Si](C)(C)Oc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.44
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
CHRM5 P08912 1/20 0.31
CHKA P35790 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
Methyl Alcohol SCHEMBL4028549 0.96 PREP (0.41) PREPCA12CA1CA9KIF11
SCHEMBL6763899 0.85 PREP (0.53) PREPCA12CA1CA9KDM4E
SCHEMBL16411531 0.83 RAD52 (0.44) PREPCA12CA1CA9KDM4E
SCHEMBL20336328 0.80 PREP (0.38) PREPCA12CA1CA9
SCHEMBL23491348 0.79 PREP (0.57) PREPCA12CA1CA9KIF11
SCHEMBL2368966 0.79 PREP (0.45) PREPCA12CA1CA9CYP2D6
SCHEMBL20358470 0.79 PREP (0.49) PREPCA12CA1CA9NPC1
SCHEMBL614621 0.77 PREP (0.47) PREPCA12CA1CA9KDM4E
SCHEMBL3057447 0.77 CA1 (0.50) PREPCA12CA1CA9KDM4E
SCHEMBL8138379 0.77 PREP (0.51) PREPCA12CA1CA9NPC1

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
EP-1233769-B1 Imidazole derivatives SMITHKLINE BEECHAM PLC (GB) 2007-12-26 EP disclosed
US-7189745-B1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20070010534-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2007-01-11 US disclosed
EP-1233769-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2004-12-29 EP disclosed
EP-1233769-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-08-28 EP disclosed
WO-2001037835-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC. (GB) 2001-05-31 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-20070010534-A1 NOVEL COMPOUNDS TIE1, TEK, VEGFA PREP 3795/4885CA12 2982/4885CA1 4753/4885

“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.