SCHEMBL25637686

SCHEMBL25637686

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL25637694 0.88 ALDH1A1 (0.38) SIRT6LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL25637845 0.86 SMN1; SMN2 (0.32) SIRT6LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL25637762 0.85 HTR2A (0.38) SIRT6LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL25637647 0.84 SIRT6 (0.39) SIRT6LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL25640764 0.84 SIK2 (0.35) SIRT6LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL25637849 0.84 SIRT6 (0.38) SIRT6LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL25056317 0.84 CYP11B1 (0.33) —
SCHEMBL25637772 0.82 SIRT6 (0.38) SIRT6LMNAALDH1A1PKMKMT2A
SCHEMBL25637666 0.81 TDP1 (0.40) SIRT6LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL25056275 0.81 S1PR1 (0.35) SIRT6LMNAALDH1A1KMT2AHTT

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 2 patents. 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
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 4278/4885LMNA 2845/4885ALDH1A1 3656/4885

“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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