SCHEMBL6948636

SCHEMBL6948636

CC(C)(C)OC(=O)n1cc(CCc2ccc([N+](=O)[O-])cc2)c2c3c(ccc21)NC(C(=O)O)C3

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTR6 P50406 1/20 0.35
ATM Q13315 1/20 0.33
KCNJ1 P48048 5/20 0.33
KCNH2 Q12809 5/20 0.33
HRH3 Q9Y5N1 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7596023 0.75 KDM4E (0.38) ALDH1A1MAPTATMKCNJ1KCNH2
SCHEMBL532382 0.74 MAPT (0.36) ALDH1A1LMNAMAPTATMKCNJ1
SCHEMBL532247 0.72 ALDH1A1 (0.36) ALDH1A1LMNAMAPTATMKCNJ1
SCHEMBL532457 0.69 BRD4 (0.37) ALDH1A1MAPTHTR6L3MBTL1SMN1; SMN2
SCHEMBL13679140 0.64 HTR6 (0.50) ALDH1A1LMNAMAPTHTR6ATM
SCHEMBL4573720 0.64 KCNJ1 (0.65) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL377559 0.63 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL14782744 0.63 ALDH1A1 (0.60) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL15987432 0.62 ALDH1A1 (0.66) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL7465747 0.62 L3MBTL1 (0.44) ALDH1A1LMNAMAPTHTR6L3MBTL1

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-6653473-B2 Nucleotide sequences for use as diagnostic tool in genetic analysis EPOCH BIOSCIENCES, INC. 2003-11-25 US disclosed
US-20030008304-A1 Fluorescent quenching detection reagents and methods EPOCH BIOSCIENCES, INC. (US) 2003-01-09 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-20030008304-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B ALDH1A1 2350/4885LMNA 1086/4885MAPT 4772/4885

“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.