SCHEMBL20945015

SCHEMBL20945015

COC(=O)C(C)(C)Cn1cccc(N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 2/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
PARP1 P09874 1/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34

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
SCHEMBL16918356 0.84 PKM (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8649103 0.79 ELANE (0.51) ELANEKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20945000 0.79 NPSR1 (0.49) ELANEALDH1A1SMN1; SMN2L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL20944983 0.78 ELANE (0.50) ELANEKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20945137 0.77 PARP1 (0.49) ELANEKDM4EALDH1A1HPGDPARP1
SCHEMBL5116947 0.75 ELANE (0.48) ELANEKDM4EALDH1A1PARP1HDAC6
SCHEMBL20945159 0.74 TNF (0.45) ELANEKDM4EALDH1A1PARP1HDAC3
SCHEMBL20945158 0.73 ELANE (0.39) ELANEHDAC1
SCHEMBL13075504 0.72 ELANE (0.46) ELANEKDM4EALDH1A1PARP1SMN1; SMN2
SCHEMBL761836 0.71 ELANE (0.53) ELANEKDM4EALDH1A1PARP1SMN1; 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 6 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-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 ELANE 2561/4885KDM4E 1753/4885ALDH1A1 1626/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ELANE 2561/4885KDM4E 1753/4885ALDH1A1 1626/4885

“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.