SCHEMBL21638274

SCHEMBL21638274

COCCN(CCOC)c1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PDK1 Q15118 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ APP P05067 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45

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
SCHEMBL21669173 0.81 SMN1; SMN2 (0.49) HTTSMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL22130278 0.79 HTT (0.66) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL31219325 0.79 HTT (0.66) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL3743863 0.78 SMN1; SMN2 (0.57) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL3749123 0.77 SMN1; SMN2 (0.59) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL5005629 0.76 RIPK1 (0.72) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL658878 0.76 HTT (0.61) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL21638287 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL3753696 0.75 HTT (0.53) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL23965742 0.74 MEN1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475775-B 4-pyridone compound or salt thereof, pharmaceutical composition containing 4-pyridone compound, and agent 富士胶片株式会社 2023-05-09 — — CN disclosed
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 — — US disclosed
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 — — US disclosed
EP-3604301-B1 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME FUJIFILM CORP (JP) 2021-09-22 — — EP disclosed
EP-3604301-A1 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME FUJIFILM Corporation (JP) 2020-02-05 — — EP 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 (1 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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB HTT 3763/4885SMN1; SMN2 4557/4885ALDH1A1 2347/4885

“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.

Send feedback