SCHEMBL20945207

SCHEMBL20945207

CCc1c[nH]c(=O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
GRIN2D O15399 5/20 0.40
GRIN3B O60391 5/20 0.40
GRIN1 Q05586 5/20 0.40
GRIN2A Q12879 5/20 0.40
GRIN2B Q13224 5/20 0.40
GRIN2C Q14957 5/20 0.40
GRIN3A Q8TCU5 5/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL4544154 0.76 KDM4E (1.00) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4585740 0.74 KDM4E (0.47) KDM4ELMNAMAPTALDH1A1RAB9A
SCHEMBL3293088 0.73 ALDH1A1 (0.63) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2056421 0.72 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5137768 0.72 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL173688 0.72 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL458846 0.72 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3863268 0.72 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6249816 0.71 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4057148 0.71 KDM4E (0.61) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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 (2 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-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP KDM4E 1753/4885GRIN2D 3446/4885GRIN3B 3476/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP KDM4E 1753/4885GRIN2D 3446/4885GRIN3B 3476/4885

“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.