SCHEMBL29310329

SCHEMBL29310329

CN1CCC(c2ccc([N+](=O)[O-])cc2)=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.44
KCNH2 Q12809 5/20 0.44
SIRT6 Q8N6T7 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PARL Q9H300 1/20 0.40
ADORA2B P29275 1/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14617591 0.76 SIRT6 (0.47) KCNJ1KCNH2SIRT6HRH3NPC1
SCHEMBL14810722 0.73 QDPR (0.58) SIRT6NPC1RAB9APOLBL3MBTL1
SCHEMBL29310331 0.68 GAA (0.42) SIRT6POLBL3MBTL1ALDH1A1LMNA
SCHEMBL10997673 0.68 CASP1 (0.43) SIRT6RAB9AALDH1A1LMNAHPGD
SCHEMBL174327 0.67 SIRT6 (0.42) KCNJ1KCNH2SIRT6HRH3NPC1
SCHEMBL7499586 0.67 SIRT6 (0.45) KCNJ1KCNH2SIRT6HRH3NPC1
SCHEMBL9122080 0.66 APP (0.50) POLBL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL28198 0.66 CA1 (0.67) POLBALDH1A1LMNAMAPTACHE
SCHEMBL6423919 0.66 CA1 (0.67) POLBALDH1A1LMNAMAPTACHE
SCHEMBL12477988 0.66 POLB (0.44) NPC1RAB9APOLBALDH1A1LMNA

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B KCNJ1 4843/4885KCNH2 4857/4885SIRT6 1892/4885

“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.