SCHEMBL5583111

SCHEMBL5583111

CC(C)(C)N(CCc1cccnc1Br)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.35
SLC13A5 Q86YT5 4/20 0.34
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRIM24 O15164 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
SCHEMBL17800119 0.76 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL5655960 0.76 HDAC1 (0.42) KMT2ALMNAMAPTPOLBTRPV1
SCHEMBL1027707 0.75 KMT2A (0.45) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1690653 0.74 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1181110 0.74 TAAR1 (0.53) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL19460839 0.72 KDM4E (0.46) ALDH1A1LMNAKDM4ECYP1A2MAPT
SCHEMBL15154286 0.72 PDE10A (0.40) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL20141439 0.71 TAAR1 (0.46) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1026318 0.71 AOC3 (0.53) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL1843260 0.71 LMNA (0.42) MEN1KMT2AHTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 MEN1 4674/4885KMT2A 721/4885HTT 2004/4885

“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.