SCHEMBL25637647

SCHEMBL25637647

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PLK3 Q9H4B4 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 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
SCHEMBL25637689 0.88 PDK1 (0.34) KMT2AMEN1PLK1CSNK2A1PLK3
SCHEMBL25637694 0.88 ALDH1A1 (0.38) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25637666 0.87 TDP1 (0.40) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25639760 0.87 SIRT6 (0.38) SIRT6ALDH1A1LMNATDP1KMT2A
SCHEMBL25056359 0.86 PKM (0.38) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25637702 0.86 CYP11B1 (0.36) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25637849 0.86 SIRT6 (0.38) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25642368 0.84 SIRT6 (0.34) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25637682 0.84 SIRT6 (0.36) SIRT6ALDH1A1LMNAPKMTDP1
SCHEMBL25637686 0.84 SIRT6 (0.34) SIRT6ALDH1A1LMNAPKMTDP1

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 4278/4885ALDH1A1 3656/4885LMNA 2845/4885

“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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