SCHEMBL1362259

SCHEMBL1362259

CC(C)(C)C.C[SiH](C)OCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
MAOB P27338 10/20 0.50
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
MAOA P21397 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL3402049 0.95 IDO1 (0.58) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL31370399 0.77 IDO1 (0.58) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL13597426 0.77 IDO1 (0.58) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL722683 0.76 IDO1 (0.49) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL514760 0.74 IDO1 (0.64) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL29830809 0.74 IDO1 (0.64) IDO1AGXTMAOBALDH1A1SMN1; SMN2
SCHEMBL1767187 0.73 IDO1 (0.69) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL10623645 0.73 MAOB (0.47) IDO1AGXTMAOBALDH1A1MAOA
SCHEMBL722684 0.71 IDO1 (0.56) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL14808468 0.71 IDO1 (0.51) IDO1AGXTMAOBTAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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 (3 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A IDO1 171/4885AGXT 4238/4885MAOB 302/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B IDO1 899/4885AGXT 4257/4885MAOB 134/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 IDO1 194/4885AGXT 4072/4885MAOB 212/4885

“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.