SCHEMBL25040044

SCHEMBL25040044

Cc1nc(N2CC(C)OC(C)C2)ccc1NC1CCC(N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MAPKAPK2 P49137 2/20 0.34
▸ CDK2 P24941 1/20 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
SCHEMBL25039945 1.00 KMT2A (0.40) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25039932 1.00 KMT2A (0.40) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25039925 0.93 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25039905 0.93 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25041780 0.90 KDM4E (0.34) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25041783 0.90 KDM4E (0.34) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25039866 0.90 KDM4E (0.34) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25039985 0.89 SCN10A (0.33) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25042096 0.89 KMT2A (0.41) KMT2AALDH1A1KDM4EGAAHRH4
SCHEMBL25041373 0.88 HRH4 (0.38) HRH4CCNT1CDK4CCND1CDK9

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 KMT2A 3978/4885ALDH1A1 1441/4885KDM4E 3580/4885

“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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