SCHEMBL517443

SCHEMBL517443

COc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 3/20 0.56
SIRT6 Q8N6T7 2/20 0.56
SUV39H2 Q9H5I1 10/20 0.50
DRD2 P14416 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KDM4D Q6B0I6 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14892233 0.87 LMNA (0.53) ALDH1A1LMNAMAPTSIRT6SUV39H2
SCHEMBL517279 0.86 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSIRT6MAPK1
SCHEMBL517280 0.86 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSIRT6MAPK1
SCHEMBL381140 0.85 SIRT6 (0.56) ALDH1A1LMNAMAPTSIRT6SUV39H2
SCHEMBL518051 0.84 LMNA (0.43) ALDH1A1LMNAMAPTSUV39H2DRD2
SCHEMBL29435443 0.83 SUV39H2 (0.53) SUV39H2CKS1BSKP1SKP2KDM4D
SCHEMBL517615 0.83 SUV39H2 (0.53) SUV39H2CKS1BSKP1SKP2KDM4D
SCHEMBL310101 0.82 GPR119 (0.59) ALDH1A1LMNAMAPTSIRT6
SCHEMBL12628007 0.82 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSIRT6MAPK1
SCHEMBL7235706 0.82 HPGD (0.48) ALDH1A1LMNAMAPTSUV39H2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12390532-B2 ALK protein regulator and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2025-08-19 US disclosed
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 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
US-20220257776-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-08-18 US disclosed
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-08-11 US disclosed
EP-4029499-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF Shanghaitech University (CN) 2022-07-20 EP disclosed
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-02-22 US disclosed
EP-3725771-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF Shanghaitech University (CN) 2020-10-21 EP disclosed
WO-2019114770-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2019-06-20 WO disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US 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 (7 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 4230/4885MAPT 3181/4885
US-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885LMNA 1889/4885MAPT 2815/4885
US-12390532-B2 ALK protein regulator and anti-tumor application thereof ALK, MYC, ALKBH3 ALDH1A1 1743/4885LMNA 3426/4885MAPT 4564/4885
US-20220257776-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF ALK, MYC, ALKBH3 ALDH1A1 1743/4885LMNA 3426/4885MAPT 4564/4885
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 ALDH1A1 2330/4885LMNA 3636/4885MAPT 4112/4885
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof ADRM1, VHL, MDM2 ALDH1A1 1038/4885LMNA 986/4885MAPT 2785/4885
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer FLT3, EGFR, ERBB2 ALDH1A1 2330/4885LMNA 3636/4885MAPT 4112/4885

“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.