SCHEMBL517482

SCHEMBL517482

COc1cc(N2CCC(=O)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.46
SIRT6 Q8N6T7 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL31342675 0.86 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL22028444 0.85 SIRT6 (0.61) ALDH1A1LMNASIRT6SMN1; SMN2MAPT
SCHEMBL25369950 0.84 ALDH1A1 (0.44) ALDH1A1LMNASIRT6SMN1; SMN2MAPT
SCHEMBL22942876 0.84 HTT (0.55) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL2203183 0.84 MAPT (0.50) ALDH1A1LMNASIRT6SMN1; SMN2MAPT
SCHEMBL7947767 0.82 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL25368911 0.82 ALDH1A1 (0.42) ALDH1A1LMNASIRT6SMN1; SMN2MAPT
SCHEMBL2206009 0.82 TDP1 (0.47) ALDH1A1LMNASIRT6SMN1; SMN2MAPT
SCHEMBL24327504 0.81 SIRT6 (0.56) ALDH1A1LMNASIRT6SMN1; SMN2MAPT
SCHEMBL23759668 0.81 SIRT6 (0.47) ALDH1A1LMNASIRT6SMN1; SMN2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 CN disclosed
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (2 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 ALDH1A1 3281/4885LMNA 4230/4885SIRT6 2858/4885
US-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885LMNA 1889/4885SIRT6 4345/4885

“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.