SCHEMBL496708

SCHEMBL496708

CSC(=S)C1c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
SRC P12931 1/20 0.38
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL496682 0.78 EGFR (0.34) EGFRSRCHDAC4HDAC7HDAC5
SCHEMBL497361 0.77 CDC25A (0.36) ALDH1A1KMT2AGAANPSR1LMNA
SCHEMBL6024230 0.74 HDAC4 (0.42) EGFRSRCHDAC4HDAC7HDAC5
SCHEMBL31657761 0.71 MAOA (0.40) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL6023539 0.71 HDAC4 (0.47) EGFRSRCHDAC4HDAC7HDAC5
SCHEMBL6024136 0.68 ALDH1A1 (0.37) EGFRSRCHDAC4HDAC7HDAC5
SCHEMBL30392277 0.68 GAA (0.41) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL16835542 0.67 GAA (0.40) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL13615629 0.67 MAPT (0.42) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL10028545 0.67 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAACES2

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 3170/4885HDAC4 4295/4885
US-20030170762-A1 Compounds for generating chemiluminescence with a peroxidase LPO, MPO, GPX4 EGFR 4479/4885SRC 3170/4885HDAC4 4295/4885
US-20030170771-A1 Compounds for generating chemiluminescence with a peroxidase LPO, MPO, GPX4 EGFR 4479/4885SRC 3170/4885HDAC4 4295/4885

“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.