SCHEMBL6980198

SCHEMBL6980198

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.55
RAD52 P43351 1/20 0.52
KMT2A Q03164 2/20 0.48
RECQL P46063 1/20 0.47
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 2/20 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
SCHEMBL7284088 0.86 RAD52 (0.50) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL6968546 0.86 ELANE (0.47) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL8993820 0.85 ELANE (0.52) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL6975296 0.84 LMNA (0.49) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL7234130 0.82 RAD52 (0.56) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL20945000 0.81 NPSR1 (0.49) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL15803827 0.81 ELANE (0.48) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL8265639 0.81 RAD52 (0.55) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL3713978 0.80 RAD52 (0.52) ELANERAD52KMT2ARECQLALDH1A1
SCHEMBL15804004 0.80 ELANE (0.70) ELANERAD52KMT2ARECQLALDH1A1

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 8 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
US-20030181498-A1 Bicyclic heteroaryl compounds as inhibitors of the interaction between the integrin alpha4beta1 receptor and vcam-1 and/or fibronectin ASTRAZENECA AB (SE) 2003-09-25 US disclosed
EP-1272487-A1 BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001053295-A1 BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN ASTRAZENECA AB (SE) 2001-07-26 WO disclosed
CN-1179151-A Lactam-containing hydroxamic acid derivatives, process for their preparation and their use as inhibitors of matrix metalloproteinases PROCTER & GAMBLE (US) 1998-04-15 CN 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 (3 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-20030181498-A1 Bicyclic heteroaryl compounds as inhibitors of the interaction between the integrin alpha4beta1 receptor and vcam-1 and/or fibronectin VCAM1, FN1, ITGA4 ELANE 1055/4885RAD52 4625/4885KMT2A 3232/4885
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP ELANE 2561/4885RAD52 3214/4885KMT2A 2799/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ELANE 2561/4885RAD52 3214/4885KMT2A 2799/4885

“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.