SCHEMBL255082

SCHEMBL255082

COC(=O)Cc1ccc(Oc2ccc3nc(C4=N[C@@H](C(=O)O)CS4)ccc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP9 P14780 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 4/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
RIPK1 Q13546 1/20 0.31
RIPK3 Q9Y572 1/20 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
SCHEMBL15763786 0.89 GPR35 (0.35) HPGDSMN1; SMN2GPR35ALDH1A1MEN1
SCHEMBL138982 0.87 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL12940612 0.86 KDM4E (0.37) HPGDSMN1; SMN2NPC1RAB9AGPR35
SCHEMBL15763766 0.85 ALDH1A1 (0.33) HPGDSMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL19393222 0.85 MAPT (0.41) HPGDGPR35ALDH1A1KMT2AMAPT
SCHEMBL137676 0.85 MAPT (0.41) HPGDGPR35ALDH1A1KMT2AMAPT
SCHEMBL139841 0.84 GPR35 (0.38) HPGDRAB9AGPR35ALDH1A1MEN1
SCHEMBL138900 0.83 LMNA (0.43) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL139847 0.80 HDAC1 (0.37) HPGDPKMGPR35ALDH1A1NPSR1
SCHEMBL138952 0.79 LMNA (0.42) HPGDSMN1; SMN2ALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030960-A1 OXIDIZED GLUTATHIONE ASSAY PROMEGA CORPORATION (US) 2012-03-08 WO disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 US disclosed
EP-2277872-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-26 EP disclosed
EP-2272973-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
EP-2272972-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 EP disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 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 (2 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-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD HPGD 1165/4885SMN1; SMN2 4848/4885NPC1 1076/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD HPGD 1093/4885SMN1; SMN2 4829/4885NPC1 1844/4885

“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.