SCHEMBL3426726

SCHEMBL3426726

COc1ccc(N(C(=O)c2c3ccccc3nc3occc23)S(=O)(=O)CCCC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
F2 P00734 2/20 0.41
LMNA P02545 1/20 0.39
KCNA3 P22001 1/20 0.37
KEAP1 Q14145 4/20 0.37
NFE2L2 Q16236 4/20 0.37
HSP90AA1 P07900 1/20 0.37
EGFR P00533 2/20 0.36
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3426321 0.90 ALDH1A1 (0.37) ALDH1A1HPGDKMT2AF2LMNA
SCHEMBL3426951 0.86 HPGD (0.35) ALDH1A1HPGDKMT2AF2LMNA
SCHEMBL3425741 0.83 ALDH1A1 (0.40) ALDH1A1HPGDKMT2ALMNAKEAP1
SCHEMBL13433217 0.83 KMT2A (0.51) ALDH1A1HPGDKMT2AF2LMNA
SCHEMBL3426725 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKMT2AF2LMNA
SCHEMBL3426320 0.76 ALDH1A1 (0.37) ALDH1A1HPGDKMT2AF2LMNA
SCHEMBL13433216 0.76 KMT2A (0.47) ALDH1A1HPGDKMT2AF2LMNA
SCHEMBL3428092 0.74 ALDH1A1 (0.37) ALDH1A1HPGDKMT2ALMNAKEAP1
SCHEMBL3426950 0.74 ALDH1A1 (0.35) ALDH1A1HPGDKMT2AF2LMNA
Bromide SCHEMBL8469213 0.73 HSP90AA1 (0.48) ALDH1A1HPGDKMT2AF2LMNA

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-7695980-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-04-13 US disclosed
US-20060199833-A1 Novel chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 US disclosed
EP-1658495-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2006-05-24 EP disclosed
WO-2005015214-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2005-02-17 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-20060199833-A1 Novel chemiluminescent compounds and their use LANCL1, LPO, HLCS ALDH1A1 577/4885HPGD 497/4885KMT2A 4152/4885

“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.