SCHEMBL25637673

SCHEMBL25637673

COc1cc2c(cc1[N+](=O)[O-])-c1cn(C)nc1CCN2C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL25637981 0.87 TDP1 (0.40) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25637675 0.82 SMN1; SMN2 (0.36) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25637948 0.81 RAB9A (0.45) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25056418 0.81 MEN1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL25637769 0.80 SIRT6 (0.38) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25637674 0.78 SIRT6 (0.36) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25637647 0.78 SIRT6 (0.39) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25639760 0.75 SIRT6 (0.38) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25637714 0.71 SIRT6 (0.41) SIRT6ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25637815 0.70 SIRT6 (0.38) SIRT6ALDH1A1LMNASMN1; SMN2TDP1

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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