SCHEMBL29899415

SCHEMBL29899415

CCOC(=O)Cn1nc(C2CC2)c(O)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
CYP2C19 P33261 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.39
CNR1 P21554 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
SCHEMBL29899373 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL27185189 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL29899355 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
Acetic Acid SCHEMBL26982605 0.76 HTT (0.40) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL29899375 0.76 KDM4E (0.41) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL25746202 0.75 GAA (0.51) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL25332258 0.73 KDM4E (0.42) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL24077023 0.73 MAPK8 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL24076898 0.73 GAA (0.49) ALDH1A1KDM4EHTTGAACYP2C19
SCHEMBL23792573 0.73 MAPK1 (0.40) ALDH1A1KDM4EHTTSMN1; SMN2HSD17B10

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 2109/4885HTT 2016/4885

“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.