SCHEMBL396883

SCHEMBL396883

Cc1c(N)c(=O)n(-c2cc(C(=O)O)cc(S(=O)(=O)O)c2)n1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
PTGS2 P35354 1/20 0.49
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
TP53 P04637 1/20 0.45
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGS1 P23219 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL396551 0.88 BCHE (0.54) BCHEPTGS2TP53DPP4MEN1
SCHEMBL396148 0.78 BCHE (0.60) BCHEPTGS2TP53DPP4MEN1
SCHEMBL395394 0.77 BCHE (0.62) BCHEPTGS2DPP4MEN1KMT2A
SCHEMBL395617 0.76 BCHE (0.66) BCHEPTGS2TP53MEN1KMT2A
SCHEMBL395917 0.76 BCHE (0.69) BCHEPTGS2TP53MEN1KMT2A
Ampyrone SCHEMBL4648040 0.73 BCHE (0.60) BCHEPTGS2TP53DPP4MEN1
Ampyrone SCHEMBL28606780 0.73 BCHE (0.84) BCHEPTGS2DPP4MEN1KMT2A
Ampyrone SCHEMBL8822010 0.72 BCHE (0.68) BCHEPTGS2DPP4MEN1KMT2A
Ampyrone SCHEMBL133625 0.71 BCHE (0.56) BCHEPTGS2TP53DPP4MEN1
Ampyrone SCHEMBL27868612 0.70 BCHE (0.79) BCHEPTGS2DPP4MEN1KMT2A

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-8101374-B2 Oxidative chromogenic compound or salt thereof and production method thereof, and reagent composition and test instrument using the same TERUMO KABUSHIKI KAISHA (JP) 2012-01-24 US disclosed
EP-2138483-B1 OXIDATIVE COLOR-DEVELOPING COMPOUNDS, SALTS THEREOF, PROCESS FOR PRODUCTION OF THE SAME, REAGENT COMPOSITIONS AND TEST TOOLS MADE BY USING THE SAME TERUMO CORP (JP) 2011-05-18 EP disclosed
US-20100062464-A1 OXIDATIVE CHROMOGENIC COMPOUND OR SALT THEREOF AND PRODUCTION METHOD THEREOF, AND REAGENT COMPOSITION AND TEST INSTRUMENT USING THE SAME TERUMO KABUSHIKI KAISHA (JP) 2010-03-11 US disclosed
EP-2138483-A1 OXIDATIVE COLOR-DEVELOPING COMPOUNDS, SALTS THEREOF, PROCESS FOR PRODUCTION OF THE SAME, REAGENT COMPOSITIONS AND TEST TOOLS MADE BY USING THE SAME Terumo Kabushiki Kaisha (JP) 2009-12-30 EP 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-20100062464-A1 OXIDATIVE CHROMOGENIC COMPOUND OR SALT THEREOF AND PRODUCTION METHOD THEREOF, AND REAGENT COMPOSITION AND TEST INSTRUMENT USING THE SAME SCO2, CBR3, CYP11B1 BCHE 1213/4885PTGS2 2327/4885LCK 3102/4885

“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.