SCHEMBL25039261

SCHEMBL25039261

CCc1cc(NC2CCC(N)CC2)ccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 7/20 0.41
CNR2 P34972 7/20 0.38
NR1H4 Q96RI1 2/20 0.36
FLT3 P36888 4/20 0.35
CHEK1 O14757 1/20 0.35
KIT P10721 3/20 0.34
CNR1 P21554 4/20 0.34

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
SCHEMBL30279107 0.86 SPHK1 (0.41) CNR2CNR1
SCHEMBL25041540 0.86 SPHK1 (0.41) CNR2CNR1
SCHEMBL25039410 0.81 KIT (0.40) SMYD3CNR2NR1H4FLT3CHEK1
SCHEMBL25042151 0.80 ROCK2 (0.40) CNR2NR1H4FLT3KITCNR1
SCHEMBL25040034 0.80 NR1H4 (0.44) CNR2NR1H4
SCHEMBL25041798 0.79 KDM1A (0.43)
SCHEMBL25041982 0.78 SMYD3 (0.40) SMYD3FLT3KIT
SCHEMBL25039462 0.77 CHEK1 (0.38) CNR2NR1H4FLT3CHEK1KIT
SCHEMBL30279151 0.77 CHEK1 (0.38) CNR2NR1H4FLT3CHEK1KIT
SCHEMBL30278983 0.76 HTT (0.38) CNR2FLT3KITCNR1

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 SMYD3 3862/4885CNR2 3207/4885NR1H4 1004/4885

“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.