SCHEMBL17290408

SCHEMBL17290408

CO/N=C(\C)c1c(-c2ccc(OC)cc2)nn(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 2/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL17290410 1.00 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17290254 0.86 CSF1R (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL17290253 0.86 CSF1R (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL17290748 0.84 POLB (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL17290749 0.84 POLB (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL17290647 0.75 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17290720 0.70 KMT2A (0.45) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL31617230 0.69 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17290725 0.68
SCHEMBL17290726 0.68

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 MEN1 3991/4885KMT2A 4665/4885KDM4E 3651/4885

“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.