SCHEMBL6043499

SCHEMBL6043499

BrB(Br)Br.COC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
PPARA Q07869 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL104518 0.92 ALDH1A1 (0.54) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL103235 0.92 ALDH1A1 (0.54) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL155984 0.92 ALDH1A1 (0.54) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
Methane SCHEMBL9122539 0.90 ALDH1A1 (0.53) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
Ammonia Solution, Strong SCHEMBL38660904 0.90 ALDH1A1 (0.53) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL28215185 0.90 ALDH1A1 (0.53) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL6178991 0.90 ALDH1A1 (0.53) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
Bromide SCHEMBL6042642 0.90 ALDH1A1 (0.53) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
Bromide SCHEMBL6043492 0.88 ALDH1A1 (0.51) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL7820379 0.85 KEAP1 (0.47) KEAP1NFE2L2ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KEAP1 1008/4885NFE2L2 808/4885ALDH1A1 2504/4885

“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.