SCHEMBL1363068

SCHEMBL1363068

COc1c(Br)cccc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.35
HPGD P15428 2/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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 0.82 KMT2A (0.48) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL1364356 0.81 LMNA (0.42) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL1362694 0.80 MEN1 (0.41) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL1845830 0.77 MEN1 (0.52) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL2729290 0.74 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL1362996 0.73 POLB (0.51) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL2345828 0.73 MEN1 (0.38) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL17372745 0.72 MEN1 (0.40) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL27747620 0.72 MEN1 (0.47) KMT2AMEN1L3MBTL1NPSR1PPARG
SCHEMBL27287731 0.71 MTNR1A (0.52) KMT2AMEN1ALDH1A1HTTL3MBTL1

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 3 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-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

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 KMT2A 2211/4885MEN1 4113/4885LMNA 4824/4885

“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.