Sugi Predict

Sugi Predict / Compounds / SCHEMBL5894079

SCHEMBL5894079

SCHEMBL5894079

ON1C=CN(O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CYP3A4 P08684 1/20 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
SCHEMBL28275067 0.75 MEN1 (0.38) KDM4EALDH1A1ALOX15RAB9ALMNA
SCHEMBL27689680 0.75 NOTUM (0.36) KDM4EALDH1A1RAB9ALMNAPOLB
SCHEMBL21082763 0.74 TLR9 (0.43) TLR9KDM4EALDH1A1ALOX15RAB9A
SCHEMBL1246144 0.72 LMNA (0.39) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL553792 0.72 NPC1 (0.35) ALDH1A1ALOX15RAB9APOLBSMN1; SMN2
SCHEMBL13721382 0.67 TLR9 (0.38) TLR9KDM4EALDH1A1ALOX15RAB9A
SCHEMBL2443953 0.67 GAA (0.33) TLR9KDM4EALDH1A1ALOX15RAB9A
SCHEMBL5665636 0.67 AADAT (0.33) TLR9KDM4EALDH1A1LMNAMAPT
SCHEMBL22656954 0.66 — —
Water SCHEMBL4329297 0.65 KDM4E (0.35) TLR9KDM4ESMN1; SMN2BCHEGAA

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
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 — — US claimed
CN-110269859-B Application of quinoxaline-1, 4-dioxide compound in resisting toxoplasma gondii infection 中国农业科学院上海兽医研究所(中国动物卫生与流行病学中心上海分中心) 2022-05-17 — — CN disclosed
CN-110269859-A Quinoxaline-Isosorbide-5-Nitrae-application of the dioxy class compound on Infection Toxoplasma gondii 中国农业科学院上海兽医研究所(中国动物卫生与流行病学中心上海分中心) 2019-09-24 — — CN disclosed
CN-101168530-B 1,4-dioxoquinoxaline formaldehyde dihydrazone with weed control activity and its preparation method and application UNIV HUAZHONG AGRICULTURAL 2011-02-09 — — CN disclosed
CN-101168530-A 1,4-dioxoquinoxaline formaldehyde dihydrazone with weed control activity and its preparation method and application UNIV HUAZHONG AGRICULTURAL (CN) 2008-04-30 — — CN disclosed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 — — 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 (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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 TLR9 4689/4885KDM4E 571/4885ALDH1A1 385/4885

“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.