SCHEMBL5582871

SCHEMBL5582871

CC(C)(C)N(C(=O)O)c1cccnc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
POLB P06746 1/20 0.35
NAPRT Q6XQN6 3/20 0.35
MYC P01106 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 3/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 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
SCHEMBL238763 0.81 SMN1; SMN2 (0.46) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL2006064 0.78 SLC13A5 (0.41) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL870085 0.77 KDM4E (0.36) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL118711 0.77 MEN1 (0.46) KDM4EMAPTALDH1A1L3MBTL1POLB
SCHEMBL22589893 0.76 ALDH1A1 (0.38) KDM4EMAPTALDH1A1L3MBTL1POLB
SCHEMBL6615497 0.76 CHRM2 (0.36) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL5785689 0.75 ALDH1A1 (0.41) KDM4EMAPTALDH1A1CYP3A4TSHR
SCHEMBL1445867 0.74 PAX8 (0.38) KDM4EALDH1A1L3MBTL1TRIM24TRIM33
SCHEMBL23878604 0.73 LMNA (0.31) LMNAKMT2A
SCHEMBL935798 0.72 SSTR4 (0.38) TRIM24TRIM33POLB

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 KDM4E 327/4885MAPT 448/4885ALDH1A1 2178/4885

“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.