SCHEMBL20945102

SCHEMBL20945102

CCOC(=O)COCCn1cccc(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL3911656 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10LMNAELANE
SCHEMBL31664088 0.80 KDM4E (0.42) TNFKDM4EPARP1HRH1GLA
SCHEMBL21070695 0.80 KDM4E (0.42) TNFKDM4EPARP1HRH1GLA
SCHEMBL27492186 0.78 ALDH1A1 (0.46) TNFKDM4EPARP1CNR2ALDH1A1
SCHEMBL13075101 0.74 ALDH1A1 (0.41) PARP1ALDH1A1LMNAELANEMEN1
SCHEMBL20945137 0.72 PARP1 (0.49) TNFKDM4EPARP1CNR2ALDH1A1
SCHEMBL7282336 0.71 LMNA (0.41) TNFKDM4EHRH1GLAALDH1A1
SCHEMBL20945159 0.70 TNF (0.45) TNFKDM4EPARP1CNR2ALDH1A1
SCHEMBL20689240 0.70 TYK2 (0.38) PARP1CNR2ALDH1A1ELANE
SCHEMBL7335908 0.69 CYP1A2 (0.54) KDM4EALDH1A1HSD17B10NPSR1TBXAS1

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
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 — — EP 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-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
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 TNF 4528/4885KDM4E 1753/4885PARP1 2322/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TNF 4528/4885KDM4E 1753/4885PARP1 2322/4885

“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.

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