SCHEMBL20945293

SCHEMBL20945293

O=c1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PLEC Q15149 1/20 0.54
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA3 P34903 2/20 0.50
TRPV1 Q8NER1 1/20 0.48
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MPI P34949 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41

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
SCHEMBL28342598 0.85 TRPV1 (0.67) TSHRPOLBGABRA1GABRG2GABRB3
SCHEMBL20945265 0.83 GABRA1 (0.44) TSHRPOLBMEN1KMT2APLEC
SCHEMBL20945090 0.81 GABRA1 (0.45) TSHRPOLBMEN1KMT2APLEC
SCHEMBL20945301 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3TRPV1
SCHEMBL20945309 0.81 AR (0.47) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL20945306 0.81 AR (0.47) TSHRGABRA1GABRG2GABRB3GABRA3
SCHEMBL28702102 0.79 GABRA1 (0.43) TSHRPOLBMEN1KMT2AGABRA1
SCHEMBL20945323 0.79 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3TRPV1
SCHEMBL20945311 0.79 GABRA1 (0.43) TSHRPOLBMEN1KMT2AGABRA1
SCHEMBL31384289 0.77 TSHR (1.00) TSHRPOLBMEN1KMT2APLEC

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 4 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
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
CN-109415345-A Broad spectrum influenza inhibitor based on pyridazinone 豪夫迈·罗氏有限公司 2019-03-01 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 (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 TSHR 3699/4885POLB 1192/4885MEN1 3731/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TSHR 3699/4885POLB 1192/4885MEN1 3731/4885

“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.