SCHEMBL25041780

SCHEMBL25041780

CC[C@@H]1CN(c2ccc(NC3CCC(N)CC3)c(C)n2)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPKAPK2 P49137 5/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ EIF2AK4 Q9P2K8 1/20 0.30

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
SCHEMBL25041783 1.00 KDM4E (0.34) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25039866 1.00 KDM4E (0.34) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25041915 0.94 HRH4 (0.36) HRH4MAPKAPK2CCNT1CDK4CCND1
SCHEMBL25041906 0.94 HRH4 (0.36) HRH4MAPKAPK2CCNT1CDK4CCND1
SCHEMBL30278980 0.91 KDM4E (0.34) KDM4EALDH1A1GAAKMT2AEIF2AK4
SCHEMBL25041920 0.91 KDM4E (0.34) KDM4EALDH1A1GAAKMT2AEIF2AK4
SCHEMBL25039945 0.90 KMT2A (0.40) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25039932 0.90 KMT2A (0.40) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25040044 0.90 KMT2A (0.40) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25041890 0.87 KDM4E (0.32) KDM4EALDH1A1GAAKMT2A

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 KDM4E 3580/4885ALDH1A1 1441/4885GAA 771/4885

“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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