SCHEMBL29899355

SCHEMBL29899355

CCOC(=O)Cn1nc(C(C)C)c(O)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.46
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
CYP2C19 P33261 2/20 0.44
MAPK1 P28482 2/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL26981822 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL26981827 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29899372 0.83 NLRP3 (0.44) ALDH1A1GAAHSP90AA1NLRP3
SCHEMBL29899357 0.81 NLRP3 (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL26982623 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29899363 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL25746204 0.77 GAA (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL27184861 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL26982651 0.77 HTT (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29899415 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A

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 3 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
WO-2022184842-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2022-09-09 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 (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-20240109905-A1 4-ALKOXY-6-OXO-PYRIDAZINE DERIVATIVES MODULATING NLRP3 NLRP3, NLRP1, PYCARD ALDH1A1 1823/4885KDM4E 2109/4885HPGD 1249/4885

“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.