SCHEMBL25637666

SCHEMBL25637666

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PLK1 P53350 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ PLK3 Q9H4B4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL25637647 0.87 SIRT6 (0.39) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25637830 0.84 TDP1 (0.36) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25637694 0.84 ALDH1A1 (0.38) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25056359 0.82 PKM (0.38) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25637849 0.82 SIRT6 (0.38) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25637702 0.82 CYP11B1 (0.36) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25056175 0.81 KDM4E (0.35) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL25640764 0.81 SIK2 (0.35) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25637682 0.81 SIRT6 (0.36) TDP1SIRT6ALDH1A1LMNAPKM
SCHEMBL25637686 0.81 SIRT6 (0.34) TDP1SIRT6ALDH1A1LMNAPKM

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 TDP1 2926/4885SIRT6 4278/4885ALDH1A1 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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