SCHEMBL20945145

SCHEMBL20945145

Nc1cccn(CCCO)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM1A O60341 1/20 0.35
TSHR P16473 3/20 0.35
ADORA2A P29274 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33

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
SCHEMBL12859678 0.81 PARP1 (0.40) PARP1ELANEALDH1A1VEGFAEGLN1
SCHEMBL15118488 0.79 PKM (0.43) ALDH1A1HPGDVEGFAEGLN1TSHR
SCHEMBL19173404 0.78 ALDH1A1 (0.47) PARP1ELANEALDH1A1HPGDADORA2A
SCHEMBL20944955 0.78 PARP1 (0.38) PARP1ELANEALDH1A1VEGFAEGLN1
SCHEMBL20697298 0.78 PARP1 (0.46) PARP1ELANEALDH1A1HPGDVEGFA
SCHEMBL25433288 0.77 ELANE (0.43) PARP1ELANEALDH1A1HPGDVEGFA
SCHEMBL25617645 0.77 HDAC3 (0.38) PARP1ALDH1A1HPGDTSHRCNR1
SCHEMBL20945159 0.77 TNF (0.45) PARP1ELANEALDH1A1TSHRCNR2
SCHEMBL6297486 0.76 CNR2 (0.43) PARP1ALDH1A1TSHRCNR1CNR2
SCHEMBL6302526 0.76 CNR2 (0.38) PARP1ELANEALDH1A1CNR1CNR2

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 2322/4885ELANE 2561/4885ALDH1A1 1626/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP PARP1 2322/4885ELANE 2561/4885ALDH1A1 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.