SCHEMBL17290604

SCHEMBL17290604

CC(C)N1N=C(c2ccccc2F)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
KIF11 P52732 1/20 0.39
KDM5B Q9UGL1 1/20 0.37
PGR P06401 1/20 0.36
MAOB P27338 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL11895290 0.74 MEN1 (0.54) TDP1GAAMAOBPOLBMAPT
SCHEMBL1661307 0.74 MEN1 (0.46) TDP1GAAKIF11MAOBMAPT
SCHEMBL17290575 0.67 PDE4A (0.35) TDP1KDM5BPGRPOLBMAPT
SCHEMBL17295312 0.67 PDE4A (0.35) TDP1KDM5BPGRPOLBMAPT
SCHEMBL22909304 0.66 KMT2A (0.59) GAAMAOBMAPTPDCD1CD274
SCHEMBL22909306 0.65 CYP3A4 (0.48) TDP1GAAMAOBPOLBMAPT
SCHEMBL17290780 0.64 CA1 (0.35) TDP1KDM5BPGRPOLBMAPT
SCHEMBL16925578 0.64 GABRA1 (0.43) KIF11POLB
SCHEMBL8260642 0.63 GAA (1.00) TDP1GAAMAPTPDCD1CD274
SCHEMBL5565984 0.62 AXL (0.58) GAAKIF11POLBMAPT

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 TDP1 686/4885GAA 1354/4885KIF11 3905/4885

“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.