SCHEMBL20945103

SCHEMBL20945103

COC(=O)CCCn1cc(Cl)cc([N+](=O)[O-])c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.52
KAT2B Q92831 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL20945081 0.80 KAT2B (0.48) TNFKAT2BMAPTALDH1A1
SCHEMBL19172686 0.79 SMN1; SMN2 (0.40) TNFSMN1; SMN2LMNAPKMMAPT
SCHEMBL6975296 0.78 LMNA (0.49) TNFSMN1; SMN2LMNAALDH1A1
SCHEMBL19171858 0.75 MITF (0.50) TNFSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL16794655 0.74 CYP1A2 (0.46) SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL19172697 0.74 NPSR1 (0.46) SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL19171859 0.73 AKR1B10 (0.44) SMN1; SMN2MAPTALDH1A1
SCHEMBL19171319 0.72 GRIN2B (0.38) SMN1; SMN2
SCHEMBL14993557 0.71 MAPT (0.51) SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6968546 0.69 ELANE (0.47) SMN1; SMN2LMNAMAPTALDH1A1

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
CN-109415345-B Pyridazinone-based broad-spectrum anti-influenza inhibitors 豪夫迈·罗氏有限公司 2022-01-11 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 TNF 4528/4885KAT2B 2950/4885SMN1; SMN2 4559/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP TNF 4528/4885KAT2B 2950/4885SMN1; SMN2 4559/4885

“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.