SCHEMBL2924565

SCHEMBL2924565

CC(C)(C)N(CCc1ccc(Br)cn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GBA1 P04062 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 3/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
GLS O94925 1/20 0.34
RAB9A P51151 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL2099348 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EGBA1MEN1KMT2A
SCHEMBL2568224 0.83 HCRTR1 (0.39) KDM4EMEN1KMT2AHTTL3MBTL1
SCHEMBL17226279 0.81 KDM4E (0.42) ALDH1A1KDM4EGBA1MCHR1TSHR
SCHEMBL2001093 0.81 HCRTR1 (0.39) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL4676283 0.79 HCRTR1 (0.41) KDM4EMEN1KMT2AHTTL3MBTL1
SCHEMBL2575721 0.77 TAAR1 (0.50) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL15224354 0.77 TSHR (0.44) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1241260 0.73 TAAR1 (0.52) GBA1MCHR1LMNA
SCHEMBL17226273 0.72 TSHR (0.40) ALDH1A1KDM4EGBA1KMT2AMCHR1
SCHEMBL1284719 0.72 MEN1 (0.39) ALDH1A1KDM4EMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
EP-1899323-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-03-19 EP disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US disclosed
WO-2006123113-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-23 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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG ALDH1A1 3099/4885KDM4E 4544/4885GBA1 1136/4885

“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.