SCHEMBL25039266

SCHEMBL25039266

CC(C)(C)c1ccc(NCC2CC(N)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL25039281 0.89 CA1 (0.38) CA1CA2HRH3KIF11GAA
SCHEMBL13438908 0.85 CA1 (0.39) CA1CA2HRH3KIF11GAA
SCHEMBL11935230 0.85 CA1 (0.39) CA1CA2HRH3KIF11GAA
SCHEMBL25039655 0.85 CA1 (0.39) CA1CA2HRH3KIF11GAA
SCHEMBL25041995 0.80 SLC6A2 (0.39) CA1CA2HRH3KIF11GAA
SCHEMBL22681016 0.78 CA1 (0.38) CA1CA2HRH3GAAMAPT
SCHEMBL22680866 0.75 CNR2 (0.47) CA1CA2GAAMAPTEPHX1
SCHEMBL25039268 0.74 CA1 (0.43) CA1CA2HRH3KIF11GAA
SCHEMBL25039340 0.74 EPHX2 (0.40) CA1CA2KIF11GAAMAPT
SCHEMBL13762185 0.73 EP300 (0.43) HRH3KDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 — — EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 CA1 3220/4885CA2 2405/4885HRH3 3775/4885

“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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