SCHEMBL25925602

SCHEMBL25925602

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ELANE P08246 4/20 0.41
▸ F2 P00734 3/20 0.41
▸ PLAU P00749 3/20 0.41
▸ CTRB1 P17538 3/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KRAS P01116 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
SCHEMBL25925598 0.85 ELANE (0.46) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL19208718 0.84 ELANE (0.49) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL20589207 0.83 CNR2 (0.42) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL25925645 0.82 ELANE (0.45) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL19208461 0.79 ELANE (0.48) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL29781710 0.79 ELANE (0.48) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL31745993 0.76 L3MBTL1 (0.62) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL13106155 0.76 L3MBTL1 (0.62) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL27822249 0.76 MAPT (0.46) CNR1ACHECNR2L3MBTL1ELANE
SCHEMBL3518373 0.76 ELANE (0.50) CNR2L3MBTL1ELANEF2PLAU

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 CNR1 782/4885ACHE 970/4885CNR2 878/4885

“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.

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