SCHEMBL20945000

SCHEMBL20945000

COC(=O)C(C)(C)Cn1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
ELANE P08246 1/20 0.48
RECQL P46063 1/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.37
POLB P06746 3/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL6980198 0.81 ELANE (0.55) NPSR1ELANERECQLRAD52ALDH1A1
SCHEMBL16918356 0.80 PKM (0.38) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL6968546 0.79 ELANE (0.47) NPSR1ELANERECQLRAD52ALDH1A1
SCHEMBL20945015 0.79 ELANE (0.44) ELANEALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL8993820 0.78 ELANE (0.52) NPSR1ELANERECQLRAD52ALDH1A1
SCHEMBL6975296 0.77 LMNA (0.49) ELANERECQLRAD52ALDH1A1SMN1; SMN2
SCHEMBL20944926 0.76 ELANE (0.43) NPSR1ELANERECQLRAD52ALDH1A1
SCHEMBL13075102 0.75 ALDH1A1 (0.51) ELANERECQLRAD52ALDH1A1SMN1; SMN2
SCHEMBL7284088 0.74 RAD52 (0.50) ELANERECQLRAD52ALDH1A1SMN1; SMN2
SCHEMBL20945232 0.73 ELANE (0.45) ELANERECQLRAD52ALDH1A1SMN1; SMN2

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 NPSR1 2734/4885ELANE 2561/4885RECQL 588/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP NPSR1 2734/4885ELANE 2561/4885RECQL 588/4885

“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.