SCHEMBL496682

SCHEMBL496682

S=C(S)C1c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.32
MGLL Q99685 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2C P18825 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31

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
SCHEMBL496708 0.78 EGFR (0.38) EGFRSRCGAAALDH1A1KMT2A
SCHEMBL6024230 0.78 HDAC4 (0.42) EGFRSRCGAAALDH1A1KMT2A
SCHEMBL6023539 0.71 HDAC4 (0.47) EGFRSRCGAAKMT2AMEN1
SCHEMBL31657761 0.71 MAOA (0.40) GAAALDH1A1KMT2AMEN1CES2
SCHEMBL16835542 0.71 GAA (0.40) GAAALDH1A1KMT2AMEN1CES2
SCHEMBL6524996 0.69 CHEK1 (0.41) GAAALDH1A1KMT2AMEN1CES2
SCHEMBL29886595 0.69 CHEK1 (0.41) GAAALDH1A1KMT2AMEN1CES2
SCHEMBL1573901 0.68 ALDH1A1 (0.50) GAAALDH1A1KMT2AMEN1CES2
SCHEMBL22068219 0.68 ALDH1A1 (0.50) GAAALDH1A1KMT2AMEN1CES2
SCHEMBL30060869 0.68 ALDH1A1 (0.50) GAAALDH1A1KMT2AMEN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106203-B2 Assay methods using chemiluminescent detection of peroxidase LUMIGEN, INC. (US) 2012-01-31 US disclosed
EP-2096110-B1 Acridane-9-dithiocarboxylate derivatives for generating chemiluminescence with a peroxidase LUMIGEN INC (US) 2011-06-22 EP disclosed
US-20090246819-A1 Assay Methods Using Chemiluminescent Detection of Peroxidase LUMIGEN, INC. 2009-10-01 US disclosed
EP-2096110-A1 Acridane-9-dithiocarboxylate derivatives for generating chemiluminescence with a peroxidase LUMIGEN, INC. (US) 2009-09-02 EP disclosed
US-7560556-B2 Assay methods using chemiluminescent detection of peroxidase LUMIGEN, INC. (US) 2009-07-14 US disclosed
EP-1456176-B1 IMPROVED COMPOUNDS FOR GENERATING CHEMILUMINESCENCE WITH A PEROXIDASE LUMIGEN INC (US) 2009-03-18 EP disclosed
US-7247726-B2 Compounds for generating chemiluminescence with a peroxidase LUMIGEN, INC. (US) 2007-07-24 US disclosed
US-20050158815-A1 Assay methods using chemiluminescent detection of peroxidase LUMIGEN INC. 2005-07-21 US disclosed
US-6872828-B2 Compounds for generating chemiluminescence with a peroxidase LUMIGEN, INC. (US) 2005-03-29 US disclosed
US-6858733-B2 Compounds for generating chemiluminescence with a peroxidase LUMIGEN, INC. (US) 2005-02-22 US disclosed
EP-1456176-A4 IMPROVED COMPOUNDS FOR GENERATING CHEMILUMINESCENCE WITH A PEROXIDASE LUMIGEN INC (US) 2004-11-03 EP disclosed
EP-1456176-A1 IMPROVED COMPOUNDS FOR GENERATING CHEMILUMINESCENCE WITH A PEROXIDASE LUMIGEN, INC. (US) 2004-09-15 EP disclosed
US-20040176599-A1 Compounds for generating chemiluminescence with a peroxidase LUMIGEN, INC. 2004-09-09 US disclosed
US-20030170762-A1 Compounds for generating chemiluminescence with a peroxidase LUMIGEN, INC. 2003-09-11 US disclosed
US-20030170771-A1 Compounds for generating chemiluminescence with a peroxidase AKHAVAN-TAFTI HASHEM (US) 2003-09-11 US disclosed
WO-2003053934-A1 IMPROVED COMPOUNDS FOR GENERATING CHEMILUMINESCENCE WITH A PEROXIDASE LUMIGEN, INC. (US) 2003-07-03 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 (3 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-20040176599-A1 Compounds for generating chemiluminescence with a peroxidase LPO, MPO, GPX4 EGFR 4479/4885SRC 3170/4885GAA 683/4885
US-20030170762-A1 Compounds for generating chemiluminescence with a peroxidase LPO, MPO, GPX4 EGFR 4479/4885SRC 3170/4885GAA 683/4885
US-20030170771-A1 Compounds for generating chemiluminescence with a peroxidase LPO, MPO, GPX4 EGFR 4479/4885SRC 3170/4885GAA 683/4885

“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.