SCHEMBL20945232

SCHEMBL20945232

CC(C)(C)OC(=O)NCCn1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
RAD52 P43351 1/20 0.43
DRD2 P14416 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL20944926 0.83 ELANE (0.43) ELANERAD52ALDH1A1MAPK1RECQL
SCHEMBL21389406 0.82 DRD2 (0.45) DRD2MALT1
SCHEMBL20945317 0.81 RAD52 (0.48) ELANERAD52ALDH1A1RECQLSMN1; SMN2
SCHEMBL20945124 0.81 DRD2 (0.44) ELANEDRD2MALT1
SCHEMBL8993820 0.79 ELANE (0.52) ELANERAD52ALDH1A1MAPK1RECQL
SCHEMBL17690513 0.77 BRD4 (0.37) DRD2ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL24618345 0.77 NQO2 (0.42) DRD2ALDH1A1LMNAMALT1KMT2A
SCHEMBL15765305 0.76 DRD2 (0.52) DRD2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL26744283 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTLMNAKMT2A
SCHEMBL6682212 0.75 NQO2 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA

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 ELANE 2561/4885RAD52 3214/4885DRD2 4103/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ELANE 2561/4885RAD52 3214/4885DRD2 4103/4885

“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.