SCHEMBL25039416

SCHEMBL25039416

Cc1cc(C)c(NC2CCC(N)CC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 14/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ IRAK4 Q9NWZ3 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
SCHEMBL31619851 0.82 RAPGEF4 (0.48) RAPGEF4
SCHEMBL20353195 0.82 RAPGEF4 (0.48) RAPGEF4
SCHEMBL25039457 0.80 RAPGEF4 (0.42) RAPGEF4KDM1A
SCHEMBL20353196 0.80 TAS1R3 (0.51) RAPGEF4
SCHEMBL25039269 0.78 KDM4E (0.42) RAPGEF4SMYD3KDM1AROCK2IRAK4
SCHEMBL1842397 0.77 RAPGEF4 (0.46) RAPGEF4KDM1A
SCHEMBL2094375 0.77 RAPGEF4 (0.46) RAPGEF4
SCHEMBL25041353 0.74 KDM1A (0.38) SMYD3KDM1AROCK2IRAK4
SCHEMBL29218718 0.74 TAS1R3 (0.37) RAPGEF4
SCHEMBL7130956 0.71 CA12 (0.42) SMYD3KDM1AIRAK4

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 4 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
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 RAPGEF4 966/4885SMYD3 3862/4885KDM1A 3776/4885

“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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