SCHEMBL20945159

SCHEMBL20945159

COC(=O)CCCn1cccc(N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.45
CNR2 P34972 1/20 0.45
PARP1 P09874 1/20 0.44
ELANE P08246 1/20 0.42
KAT2B Q92831 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL20945137 0.91 PARP1 (0.49) TNFCNR2PARP1ELANEKAT2B
SCHEMBL21924444 0.84 ELANE (0.39) TNFCNR2PARP1ELANEKDM4E
SCHEMBL8649103 0.82 ELANE (0.51) ELANEKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL20944983 0.81 ELANE (0.50) ELANEKDM4EALDH1A1L3MBTL1
SCHEMBL19173404 0.79 ALDH1A1 (0.47) CNR2PARP1ELANEKDM4EALDH1A1
SCHEMBL6975296 0.79 LMNA (0.49) TNFCNR2ELANEALDH1A1L3MBTL1
SCHEMBL20945122 0.79 ELANE (0.39) PARP1ELANEKDM4EALDH1A1L3MBTL1
SCHEMBL20945145 0.77 PARP1 (0.44) CNR2PARP1ELANEKDM4EALDH1A1
SCHEMBL21986062 0.76 TNF (0.51) TNFKAT2BALDH1A1
SCHEMBL28897127 0.75 ALDH1A1 (0.46) TNFCNR2KAT2BALDH1A1MAPK13

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 4528/4885CNR2 4304/4885PARP1 2322/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TNF 4528/4885CNR2 4304/4885PARP1 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.