SCHEMBL3397623

SCHEMBL3397623

O=C(O)CCCC(=O)NCc1ccc(F)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.52
GAA P10253 1/20 0.50
TPSAB1 Q15661 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FOLH1 Q04609 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13761188 0.84 LMNA (0.56) LMNAHTTGAATPSAB1HPGD
SCHEMBL52399 0.81 MMP13 (0.44) HPGDALDH1A1
SCHEMBL3398997 0.80 POLB (0.44) LMNAHTTGAAHPGDMEN1
SCHEMBL27892106 0.79 LMNA (0.87) LMNAHTTGAATPSAB1HPGD
SCHEMBL16858444 0.79 CYP1A2 (0.53) LMNASMN1; SMN2ALDH1A1
SCHEMBL4075831 0.77 GAA (0.61) LMNAGAATPSAB1MEN1KMT2A
SCHEMBL27892109 0.76 HTT (0.81) LMNAHTTGAATPSAB1HPGD
SCHEMBL149307 0.76 HDAC1 (0.50) KMT2AALDH1A1
SCHEMBL18586625 0.76 HSD17B10 (0.54) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL4815073 0.76 FFAR1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
CN-101983009-A Dual pharmacophores-PDE 4-muscarinic antagonists GLAXO GROUP LTD 2011-03-02 CN 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
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US 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
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A LMNA 4824/4885HTT 4687/4885GAA 1437/4885

“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.