SCHEMBL18770482

SCHEMBL18770482

CNS(=O)(=O)c1ccc(C2=NN(C)C(=O)C2(C)NO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KIF11 P52732 1/20 0.34
SYK P43405 2/20 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
SCHEMBL17290934 0.87 PTGS2 (0.35) PTGS2
SCHEMBL17290227 0.85 RORC (0.37) GAAKIF11SYKMAP4K4PTGS2
SCHEMBL17290600 0.85 DRD1 (0.30) DRD1
SCHEMBL17290979 0.84 NAMPT (0.39) NAMPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL17290704 0.84 NAMPT (0.37) NAMPT
SCHEMBL17290799 0.84 SYK (0.35) SYK
SCHEMBL17290882 0.82 KIF11 (0.40) NAMPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL18770516 0.80 PHGDH (0.38)
SCHEMBL17290685 0.80 RIPK3 (0.33) SMN1; SMN2GAAHTTALDH1A1POLB
SCHEMBL17295130 0.80 RECQL (0.38) SMN1; SMN2GAALMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365328-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2018-08-29 EP claimed
WO-2017070081-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 WO claimed
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 CN disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 US disclosed
EP-3365328-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2018-08-29 EP disclosed
WO-2017070081-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
WO-2017070081-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-27 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 (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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 NAMPT 551/4885SMN1; SMN2 1078/4885GAA 1354/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 NAMPT 551/4885SMN1; SMN2 1078/4885GAA 1354/4885

“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.