SCHEMBL20945141

SCHEMBL20945141

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
PLEC Q15149 1/20 0.62
GABRA1 P14867 2/20 0.57
GABRG2 P18507 2/20 0.57
GABRB3 P28472 2/20 0.57
GABRA5 P31644 2/20 0.57
GABRA3 P34903 2/20 0.57
GABRA2 P47869 2/20 0.57
GABRA6 Q16445 2/20 0.57
MPI P34949 1/20 0.53
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL30471655 1.00 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL265111 0.85 TSHR (1.00) TSHRMEN1KMT2APOLBPLEC
SCHEMBL31384289 0.85 TSHR (1.00) TSHRMEN1KMT2APOLBPLEC
SCHEMBL4142034 0.84 MPI (0.76) TSHRMEN1KMT2APOLBPLEC
SCHEMBL30540389 0.82 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL28666827 0.82 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL4066743 0.82 TSHR (0.73) TSHRMEN1KMT2APOLBPLEC
SCHEMBL28675740 0.78 TSHR (0.67) TSHRMEN1KMT2APOLBPLEC
SCHEMBL4063980 0.78 TSHR (0.72) TSHRMEN1KMT2APOLBPLEC
SCHEMBL265592 0.77 MEN1 (1.00) TSHRMEN1KMT2APOLBPLEC

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-113754558-B Method for synthesizing azobenzene through copper salt catalyzed C-N coupling reaction 桂林理工大学 2023-06-23 CN disclosed
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
CN-113754558-A Method for synthesizing azobenzene by catalyzing C-N coupling reaction through copper salt 桂林理工大学 2021-12-07 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-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 TSHR 3699/4885MEN1 3731/4885KMT2A 2799/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TSHR 3699/4885MEN1 3731/4885KMT2A 2799/4885

“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.