SCHEMBL21187006

SCHEMBL21187006

COC(=O)/C=C(\Oc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.39
RAD51 Q06609 1/20 0.39
TSHR P16473 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL14458708 1.00 KDM4E (0.52) KDM4EHTR1AALDH1A1MAPTGAA
SCHEMBL9684093 0.83 SMN1; SMN2 (0.49) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL9684084 0.83 SMN1; SMN2 (0.49) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL19744209 0.81 ATM (0.43) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL19744095 0.81 ATM (0.43) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL9562317 0.81 MEN1 (0.45) ALDH1A1RAD51KMT2AMEN1
SCHEMBL14459499 0.80 EPHX2 (0.46) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL27384157 0.79 ZDHHC2 (0.40) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18397749 0.79 LY96 (0.38) KDM4EALDH1A1MAPTHTTTSHR
SCHEMBL18397751 0.79 LY96 (0.38) KDM4EALDH1A1MAPTHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109905-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
EP-4301753-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 Janssen Pharmaceutica NV (BE) 2024-01-10 EP disclosed
CN-117083272-A 4-alkoxy-6-oxo-pyridazine derivatives that modulate NLRP3 詹森药业有限公司 2023-11-17 CN disclosed
WO-2022184842-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2022-09-09 WO disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 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 (3 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-20240109905-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 NLRP3, NLRP1, PYCARD KDM4E 2109/4885HTR1A 1464/4885ALDH1A1 1823/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 KDM4E 2159/4885HTR1A 2405/4885ALDH1A1 3749/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 KDM4E 2344/4885HTR1A 2561/4885ALDH1A1 3685/4885

“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.