SCHEMBL1362694

SCHEMBL1362694

CC(C)(C)N(Cc1cccc(Br)c1F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RIPK1 Q13546 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
EGFR P00533 4/20 0.39
ERBB2 P04626 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEP1B Q16820 1/20 0.37
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SSTR4 P31391 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.32

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
SCHEMBL5514821 0.84 KMT2A (0.48) MEN1KMT2ARIPK1LMNAALDH1A1
SCHEMBL1364356 0.84 LMNA (0.42) MEN1KMT2ARIPK1LMNAALDH1A1
SCHEMBL2581913 0.81 POLQ (0.42) MEN1KMT2ARIPK1ALDH1A1HTT
SCHEMBL18317031 0.80 RIPK1 (0.47) MEN1KMT2ARIPK1ALDH1A1EGFR
SCHEMBL1363068 0.80 KMT2A (0.42) MEN1KMT2ALMNAALDH1A1EGFR
SCHEMBL3617869 0.78 RIPK1 (0.45) MEN1KMT2ARIPK1LMNAALDH1A1
SCHEMBL2345828 0.75 MEN1 (0.38) MEN1KMT2ALMNAALDH1A1EGFR
SCHEMBL2518702 0.75 RIPK1 (0.40) MEN1KMT2ARIPK1LMNAALDH1A1
SCHEMBL18325651 0.74 RIPK1 (0.48) MEN1KMT2ARIPK1MEP1BHPGD
SCHEMBL23607744 0.74 CXCR2 (0.37) MEN1KMT2ARIPK1LMNAALDH1A1

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 6 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
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US 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 MEN1 4113/4885KMT2A 2211/4885RIPK1 3806/4885
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B MEN1 3034/4885KMT2A 1064/4885RIPK1 4715/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 MEN1 3908/4885KMT2A 1791/4885RIPK1 4057/4885

“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.