SCHEMBL25039392

SCHEMBL25039392

NCC1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ EPHX2 P34913 6/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ RHOC P08134 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
SCHEMBL2727460 0.86 MEN1 (0.47) HTR2CEPHX2MEN1LMNAHTT
SCHEMBL25040014 0.84 EPHX2 (0.42) CNR2EPHX2MEN1HTTKMT2A
SCHEMBL22731726 0.81 MAOB (0.55) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL22719549 0.81 MAOB (0.55) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL22731826 0.81 MAOB (0.55) MEN1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL28562966 0.80 EPHX2 (0.62) EPHX2
SCHEMBL28562963 0.80 EPHX2 (0.62) EPHX2
SCHEMBL14916851 0.79 LMNA (0.53) EPHX2MEN1LMNAHTTKMT2A
SCHEMBL25467181 0.78 CNR2 (0.46) CNR2EPHX2MEN1LMNAHTT
SCHEMBL25467169 0.78 CNR2 (0.46) CNR2EPHX2MEN1LMNAHTT

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 CNR2 3207/4885HTR2C 3880/4885EPHX2 1958/4885

“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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