SCHEMBL25637845

SCHEMBL25637845

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2C1CN(CC2CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ BCHE P06276 2/20 0.31
▸ ACHE P22303 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL25637842 0.90 KMT2A (0.33) SMN1; SMN2SIRT6ALDH1A1CYP2D6L3MBTL1
SCHEMBL25637682 0.88 SIRT6 (0.36) SMN1; SMN2POLBSIRT6ALDH1A1LMNA
SCHEMBL25637849 0.88 SIRT6 (0.38) SMN1; SMN2POLBSIRT6ALDH1A1LMNA
SCHEMBL25637686 0.86 SIRT6 (0.34) SMN1; SMN2POLBSIRT6ALDH1A1LMNA
SCHEMBL25637876 0.86 SIRT6 (0.34) SMN1; SMN2HTR2ASIRT6ALDH1A1LMNA
SCHEMBL25637830 0.86 TDP1 (0.36) SMN1; SMN2SIRT6ALDH1A1LMNA
SCHEMBL25637772 0.86 SIRT6 (0.38) POLBSIRT6ALDH1A1LMNA
SCHEMBL25056275 0.85 S1PR1 (0.35) POLBSIRT6ALDH1A1LMNA
SCHEMBL25056319 0.85 ACHE (0.32) ACHE
SCHEMBL25637836 0.81 SIRT6 (0.33) SIRT6ALDH1A1LMNA

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 SMN1; SMN2 4816/4885DRD2 4440/4885HTR2A 3774/4885

“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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