SCHEMBL1828057

SCHEMBL1828057

CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA9 Q16790 4/20 0.47
PREP P48147 4/20 0.39
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
DRD2 P14416 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
SCHEMBL2023774 0.89 CA12 (0.45) CA12CA1CA9PREP
SCHEMBL21083328 0.89 CA12 (0.42) CA12CA1CA9PREP
SCHEMBL6765739 0.85 CA12 (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL7281739 0.85 CA12 (0.42) CA12CA1CA9PREP
SCHEMBL3690504 0.81 CA12 (0.47) CA12CA1CA9PREP
SCHEMBL17836741 0.80 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL22128458 0.80 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL38656239 0.80 MAOB (0.37) CA12CA1CA9PREPHSP90AA1
SCHEMBL28422272 0.80 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL26617408 0.80 GAA (0.34) CA12CA1CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
EP-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC CA12 542/4885CA1 948/4885CA9 259/4885

“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.