SCHEMBL518445

SCHEMBL518445

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 9/20 0.55
SIRT6 Q8N6T7 3/20 0.55
PLK1 P53350 3/20 0.44
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL30497489 1.00 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL517751 0.86 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL517750 0.86 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL12337622 0.83 LGMN (0.41)
SCHEMBL30936846 0.83 MAPT (0.40) ALDH1A1LMNAMAPTMAPK1TDP1
SCHEMBL25261530 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL29364229 0.83 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL310477 0.83 ALDH1A1 (0.70) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL13981611 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSIRT6PLK1
SCHEMBL30936834 0.82 KMT2A (0.40) ALDH1A1LMNAMAPTMAPK1TDP1

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 15 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-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 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-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
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
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
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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885LMNA 1889/4885MAPT 2815/4885
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF EGFR, KRAS, ERBB2 ALDH1A1 2871/4885LMNA 4456/4885MAPT 3977/4885
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.