SCHEMBL4883409

SCHEMBL4883409

C[Si](C)(C)CCOC(=O)Nc1ccccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.61
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PPIA P62937 4/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.44
SGMS2 Q8NHU3 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8924076 0.77 BRD4 (1.00) BRD4RAB9AL3MBTL1TDP1PPIA
SCHEMBL7342794 0.76 BRD4 (0.68) BRD4NPC1RAB9AL3MBTL1TDP1
SCHEMBL3619403 0.76 BRD4 (0.77) BRD4NPC1RAB9AL3MBTL1TDP1
SCHEMBL13408234 0.76 BRD4 (0.67) BRD4NPC1RAB9AL3MBTL1TDP1
SCHEMBL5224158 0.75 SMN1; SMN2 (0.48) NPC1RAB9APPIAKMT2A
SCHEMBL4297414 0.75 BRD4 (0.74) BRD4NPC1RAB9AL3MBTL1TDP1
SCHEMBL7310630 0.75 NPC1 (0.61) BRD4NPC1RAB9AL3MBTL1TDP1
SCHEMBL13652590 0.74 BRD4 (0.73) BRD4NPC1RAB9AL3MBTL1TDP1
SCHEMBL22398571 0.74 HTT (0.50) RAB9AL3MBTL1TDP1PPIAPOLB
SCHEMBL3552049 0.73 LMNA (0.47) NPC1RAB9AL3MBTL1

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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR BRD4 1490/4885NPC1 3283/4885RAB9A 2875/4885

“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.