SCHEMBL25039260

SCHEMBL25039260

Cc1cc(NC2CCC(C)(N)CC2)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PTPN11 Q06124 1/20 0.34
▸ TTBK1 Q5TCY1 1/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MELK Q14680 1/20 0.31
▸ CCR5 P51681 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
SCHEMBL26325063 0.77 SMN1; SMN2 (0.42) ALDH1A1
SCHEMBL25041353 0.76 KDM1A (0.38) KDM1AMAOB
SCHEMBL25039645 0.71 BTK (0.37) KDM1AMAOBMELK
SCHEMBL25040016 0.71 RAPGEF4 (0.43) KDM1AMAOBALDH1A1
SCHEMBL30279230 0.71 RAPGEF4 (0.43) KDM1AMAOBALDH1A1
SCHEMBL25041408 0.71 RAPGEF4 (0.40) KDM1AMAOBALDH1A1
SCHEMBL25039411 0.71 EPHX1 (0.39) KDM1AMAOBALDH1A1TDP1CCR5
SCHEMBL25041562 0.69 CA2 (0.41) KDM1AMAOB
SCHEMBL25041455 0.67 DRD2 (0.36) KDM1AMAOBALDH1A1TDP1CCR5
SCHEMBL29218626 0.66 NPC1 (0.34) ALDH1A1

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 KDM1A 3776/4885MAOB 1677/4885PTPN11 1618/4885

“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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