SCHEMBL17290488

SCHEMBL17290488

COc1ccccc1-c1cc(=O)n(C)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.50
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LOX P28300 1/20 0.46
LOXL3 P58215 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HSD17B10 Q99714 2/20 0.45
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
BRD4 O60885 2/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL17290637 0.78 RAB9A (0.49) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL31081342 0.77 KDM5B (0.47) MAPTHPGDSMN1; SMN2NPSR1PTPRC
SCHEMBL17291030 0.73 HSD11B1 (0.45)
SCHEMBL12953616 0.71 MPO (0.50) MPOKMT2AKDM4EALDH1A1MEN1
SCHEMBL1727593 0.68 UGCG (0.47) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL31747891 0.68 MPO (0.57) MPOKMT2AKDM4EALDH1A1MEN1
SCHEMBL29788337 0.67 CA1 (0.71) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL29429633 0.67 CA1 (0.71) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL301996 0.67 CA1 (0.71) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL17290906 0.67 ALDH1A1 (0.43) MPOKMT2AKDM4EALDH1A1MEN1

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 MPO 1056/4885KMT2A 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.