SCHEMBL25637721

SCHEMBL25637721

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CC(=O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ APP P05067 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ GPR55 Q9Y2T6 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
SCHEMBL25637685 0.83 SIRT6 (0.42) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637720 0.82 SIRT6 (0.39) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637771 0.82 SIRT6 (0.39) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637679 0.77 TDP1 (0.38) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637850 0.77 SIRT6 (0.35) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637647 0.75 SIRT6 (0.39) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637727 0.74 CYP1A2 (0.38) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637658 0.74 PKM (0.38) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25056359 0.73 PKM (0.38) SIRT6TDP1PKMALDH1A1LMNA
SCHEMBL25637752 0.73 PKM (0.37) SIRT6TDP1PKMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 — — 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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 SIRT6 4278/4885TDP1 2926/4885PKM 2484/4885

“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.

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