SCHEMBL25042392

SCHEMBL25042392

C=Cc1ccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ BTK Q06187 4/20 0.41
▸ DRD2 P14416 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37

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
SCHEMBL31206020 0.86 RAB9A (0.48) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL25042395 0.82 KDM1A (0.45) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL31206112 0.81 KDM1A (0.47) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL25042393 0.81 KDM1A (0.44) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL31205821 0.81 KDM1A (0.44) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL31206154 0.78 NPC1 (0.48) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL28165882 0.78 BTK (0.49) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL29218616 0.77 NPY5R (0.35) ALDH1A1NPC1MAPTRAB9ASYK
SCHEMBL31206126 0.76 KDM1A (0.51) KDM1AMAOBBTKDRD2ALDH1A1
SCHEMBL23720467 0.75 KDM1A (0.49) KDM1AMAOBDRD2ALDH1A1NAMPT

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 2 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
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 KDM1A 3776/4885MAOB 1677/4885BTK 3650/4885

“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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