SCHEMBL25925645

SCHEMBL25925645

CC(=O)Cn1nc(C(N)=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.45
F2 P00734 5/20 0.45
PLAU P00749 5/20 0.45
CTRB1 P17538 5/20 0.45
KLKB1 P03952 1/20 0.45
CNR1 P21554 2/20 0.42
ACHE P22303 2/20 0.42
CNR2 P34972 2/20 0.42
MAPT P10636 5/20 0.41
PLA2G2A P14555 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL25925598 0.90 ELANE (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL19208662 0.89 ELANE (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29781526 0.89 ELANE (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL19208691 0.85 ELANE (0.53) ELANEF2PLAUCTRB1KLKB1
SCHEMBL25925602 0.82 CNR1 (0.44) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29781710 0.81 ELANE (0.48) ELANEF2PLAUCTRB1KLKB1
SCHEMBL19208461 0.81 ELANE (0.48) ELANEF2PLAUCTRB1KLKB1
SCHEMBL25926051 0.81 CFD (0.44) ELANEPLA2G2A
SCHEMBL25925489 0.81 CFD (0.44) ELANEPLA2G2A
SCHEMBL11153043 0.81 LMNA (0.46) ELANEF2PLAUCTRB1KLKB1

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 ELANE 119/4885F2 28/4885PLAU 1051/4885

“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.