SCHEMBL25925101

SCHEMBL25925101

CC(=O)Cn1cc([N+](=O)[O-])c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3514895 0.87 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2TP53LMNAL3MBTL1
SCHEMBL2067150 0.83 CCNC (0.43) ALDH1A1SMN1; SMN2TP53LMNAL3MBTL1
SCHEMBL1559248 0.82 MITF (0.51) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL25925092 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TP53LMNAL3MBTL1
SCHEMBL2066748 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TP53LMNAPOLB
SCHEMBL18463627 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TP53LMNAL3MBTL1
SCHEMBL1559636 0.79 ALDH1A1 (0.43) ALDH1A1TP53LMNAL3MBTL1POLB
SCHEMBL20555214 0.76 ALDH1A1 (0.38) ALDH1A1TP53LMNAL3MBTL1POLB
SCHEMBL20555415 0.76 MAPK1 (0.46) ALDH1A1SMN1; SMN2TP53LMNAL3MBTL1
SCHEMBL20555414 0.76 MAPK1 (0.46) ALDH1A1SMN1; SMN2TP53LMNAL3MBTL1

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-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 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-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF C9, C5, C1QBP ALDH1A1 1023/4885SMN1; SMN2 2279/4885TP53 2309/4885

“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.