SCHEMBL395617

SCHEMBL395617

Cc1c(N)c(=O)n(-c2cccc(C(=O)O)c2)n1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.66
PTGS2 P35354 1/20 0.66
TP53 P04637 1/20 0.54
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
ALOX15 P16050 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
MYC P01106 1/20 0.50
HSPA1A P0DMV8 1/20 0.50
NR4A1 P22736 1/20 0.50
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.50

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
Ampyrone SCHEMBL8624284 0.89 BCHE (0.79) BCHEPTGS2TP53ALDH1A1MEN1
SCHEMBL395917 0.82 BCHE (0.69) BCHEPTGS2TP53ALDH1A1MEN1
Ampyrone SCHEMBL15971631 0.81 BCHE (0.71) BCHEPTGS2TP53ALDH1A1MEN1
SCHEMBL17035245 0.81 BCHE (0.71) BCHEPTGS2ALDH1A1KMT2AMAPT
Ampyrone SCHEMBL11674586 0.80 BCHE (1.00) BCHEPTGS2TP53ALDH1A1MEN1
Ampyrone SCHEMBL18159502 0.80 BCHE (1.00) BCHEPTGS2TP53ALDH1A1MEN1
Ampyrone SCHEMBL128544 0.80 BCHE (1.00) BCHEPTGS2TP53ALDH1A1MEN1
SCHEMBL5823375 0.80 BCHE (0.69) BCHEPTGS2TP53ALDH1A1MEN1
Ampyrone SCHEMBL1830291 0.79 BCHE (0.96) BCHEPTGS2TP53ALDH1A1MEN1
Ampyrone SCHEMBL10746988 0.79 BCHE (0.96) BCHEPTGS2TP53ALDH1A1MEN1

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 2327/4885TP53 3110/4885

“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.