SCHEMBL31206112

SCHEMBL31206112

Cc1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ BTK Q06187 5/20 0.45
▸ DRD2 P14416 5/20 0.44
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL27982972 0.91 KDM1A (0.44) KDM1AMAOBBTKDRD2NFKB1
SCHEMBL31206020 0.88 RAB9A (0.48) KDM1AMAOBBTKDRD2EPHX2
SCHEMBL25042395 0.84 KDM1A (0.45) KDM1AMAOBBTKDRD2EPHX2
SCHEMBL31205821 0.83 KDM1A (0.44) KDM1AMAOBBTKDRD2EPHX2
SCHEMBL25042393 0.83 KDM1A (0.44) KDM1AMAOBBTKDRD2EPHX2
SCHEMBL31206132 0.83 ACACB (0.47) DRD2KMT2A
SCHEMBL29665851 0.82 KDM1A (0.44) KDM1AMAOBBTKDRD2EPHX2
SCHEMBL24512915 0.82 KDM1A (0.44) KDM1AMAOBBTKDRD2EPHX2
SCHEMBL31206247 0.82 KDM1A (0.46) KDM1AMAOBBTKDRD2NFKB1
SCHEMBL25042392 0.81 KDM1A (0.45) KDM1AMAOBBTKDRD2EPHX2

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 1 patent. 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

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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