SCHEMBL17224801

SCHEMBL17224801

COc1ccc2c(-c3c(O)c(C)nn(C)c3=O)coc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
PIN1 Q13526 1/20 0.46
MAPT P10636 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44

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
SCHEMBL17224797 0.91 ALDH1A1 (0.43) XDHMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15935633 0.77 POLB (0.46) MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL28670207 0.70 CSNK2A2 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL28674911 0.70 HSP90AA1 (0.48) MAPTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2971118 0.68 XDH (0.76) XDHPIN1MAPTRAB9ASMN1; SMN2
SCHEMBL15935620 0.67 ESR2 (0.42) MAPTALDH1A1MEN1KMT2A
Isoformonentin SCHEMBL30105310 0.66 XDH (1.00) XDHMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1249332 0.66 ALDH1A1 (0.71) XDHPIN1MAPTRAB9ASMN1; SMN2
Isoformonentin SCHEMBL73338 0.66 XDH (1.00) XDHMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL17224759 0.66 ALDH1A1 (0.37) MAPTRAB9AKDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137456-B1 PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-06-02 EP claimed
EP-3137456-A1 PYRIDAZINONE HERBICIDES E. I. du Pont de Nemours and Company (US) 2017-03-08 EP claimed
US-20170050953-A1 PYRIDAZINONE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-23 US claimed
WO-2015168010-A1 PYRIDAZINONE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-11-05 WO claimed
CN-111018790-B Pyridazinone herbicides FMC公司 2023-09-19 CN disclosed
EP-3865480-A1 HYDRAZINE DERIVATIVES FMC Corporation (US) 2021-08-18 EP disclosed
EP-3137456-B1 PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-06-02 EP disclosed
CN-111018790-A Pyridazinone herbicides FMC公司 2020-04-17 CN disclosed
US-10597388-B2 Pyridazinone herbicides FMC CORPORATION (US) 2020-03-24 US disclosed
CN-106458926-B Pyridazinone herbicides FMC公司 2020-01-03 CN disclosed
US-20190016712-A1 PYRIDAZINONE HERBICIDES FMC CORPORATION 2019-01-17 US disclosed
US-10118917-B2 Pyridazinone herbicides FMC CORPORATION 2018-11-06 US disclosed
EP-3137456-A1 PYRIDAZINONE HERBICIDES E. I. du Pont de Nemours and Company (US) 2017-03-08 EP disclosed
US-20170050953-A1 PYRIDAZINONE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-23 US disclosed
WO-2015168010-A1 PYRIDAZINONE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-11-05 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 (4 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-20190016712-A1 PYRIDAZINONE HERBICIDES CBR3, NOX5, NR5A2 XDH 118/4885PIN1 852/4885MAPT 4590/4885
US-20170050953-A1 PYRIDAZINONE HERBICIDES CBR3, NOX5, NR5A2 XDH 118/4885PIN1 852/4885MAPT 4590/4885
US-10118917-B2 Pyridazinone herbicides CBR3, NOX5, NR5A2 XDH 118/4885PIN1 852/4885MAPT 4590/4885
US-10597388-B2 Pyridazinone herbicides CBR3, NOX5, NR5A2 XDH 118/4885PIN1 852/4885MAPT 4590/4885

“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.