SCHEMBL17290229

SCHEMBL17290229

CSc1cccc(-c2nn(C)c(O)c2C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.36
CSNK1E P49674 1/20 0.35
TGFBR1 P36897 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4C Q08493 1/20 0.33
PTGS2 P35354 1/20 0.33
BACE1 P56817 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17295073 0.83 ALDH1A1 (0.40) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL17290566 0.83 ALDH1A1 (0.40) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL17290594 0.81 CYP1A2 (0.45) IDO1SMN1; SMN2PTGS2MAPTGAA
SCHEMBL17290288 0.81 IDO1 (0.42) POLBIDO1CSNK1ETGFBR1PDE4A
SCHEMBL17290743 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTDP1HPGD
SCHEMBL31617431 0.78 IDO1 (0.39) POLBIDO1CSNK1ETGFBR1PDE4A
SCHEMBL17290640 0.77 ERN1 (0.33) POLB
SCHEMBL17290263 0.77 PTGS2 (0.35) POLBPTGS2
SCHEMBL17295372 0.77 ERN1 (0.33) POLB
SCHEMBL17290982 0.76 POLB (0.30) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 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 (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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 POLB 3091/4885IDO1 1124/4885CSNK1E 1351/4885

“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.