SCHEMBL1362397

SCHEMBL1362397

COC(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(-c3cccc(C=O)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSD17B2 P37059 4/20 0.43
HSD17B1 P14061 2/20 0.43
ACLY P53396 1/20 0.39
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV3 Q8NET8 1/20 0.38

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
SCHEMBL1362506 0.80 CHRM3 (0.53)
SCHEMBL1363129 0.78 KMT2A (0.55) ERN1KMT2AMEN1HSD17B2HSD17B1
SCHEMBL13761144 0.78 KMT2A (0.55) ERN1KMT2AMEN1HSD17B2HSD17B1
SCHEMBL3435560 0.78 KMT2A (0.41) KMT2AMEN1HSD17B2HSD17B1
SCHEMBL13761063 0.76 CHRM3 (0.68)
SCHEMBL4193656 0.74 CHRM3 (0.51)
SCHEMBL13761135 0.74 MAOA (0.40) NPC1RAB9A
SCHEMBL13229122 0.73 KMT2A (0.80) KMT2AMEN1HSD17B2HSD17B1NPC1
SCHEMBL31013334 0.72 ERN1 (0.65) ERN1
SCHEMBL5861135 0.72 ERN1 (0.65) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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 (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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 ERN1 4344/4885KMT2A 1791/4885MEN1 3908/4885

“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.