SCHEMBL20945137

SCHEMBL20945137

COC(=O)CCn1cccc(N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
ELANE P08246 1/20 0.43
KAT2B Q92831 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TNF P01375 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL20945159 0.91 TNF (0.45) PARP1KDM4EALDH1A1ELANEKAT2B
SCHEMBL8649103 0.84 ELANE (0.51) KDM4EALDH1A1ELANEL3MBTL1NPC1
SCHEMBL20945122 0.84 ELANE (0.39) PARP1KDM4EALDH1A1ELANEL3MBTL1
Hydrochloric Acid SCHEMBL20944983 0.83 ELANE (0.50) KDM4EALDH1A1ELANEL3MBTL1NPC1
SCHEMBL16918355 0.83 KDM4E (0.46) KDM4EALDH1A1KAT2BCNR1CNR2
SCHEMBL21924444 0.81 ELANE (0.39) PARP1KDM4EALDH1A1ELANECNR1
SCHEMBL27901313 0.81 RAB9A (0.50) KDM4EALDH1A1CNR1CNR2NPC1
SCHEMBL13075101 0.78 ALDH1A1 (0.41) PARP1ALDH1A1ELANENPC1RAB9A
SCHEMBL6968546 0.77 ELANE (0.47) KDM4EALDH1A1ELANEL3MBTL1NPC1
SCHEMBL20945015 0.77 ELANE (0.44) PARP1KDM4EALDH1A1ELANEL3MBTL1

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 PARP1 2322/4885KDM4E 1753/4885ALDH1A1 1626/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP PARP1 2322/4885KDM4E 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.