SCHEMBL25041349

SCHEMBL25041349

CC(C)(C)c1ccc(NC2CCC(N)CC2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
CDK9 P50750 8/20 0.36
CDK7 P50613 8/20 0.36
CDK2 P24941 3/20 0.34
MAPKAPK2 P49137 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCNT1 O60563 2/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNH P51946 1/20 0.33

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
SCHEMBL25041354 0.85 ALDH1A1 (0.41) ROCK2CDK9CDK7PDE3BPDE3A
SCHEMBL25041352 0.82 ROCK2 (0.49) ROCK2CDK9CDK7PDE3BPDE3A
SCHEMBL16285251 0.81 POLB (0.48)
SCHEMBL25041348 0.79 CDK2 (0.38) ROCK2CDK2MAPKAPK2PDE3BPDE3A
SCHEMBL30279117 0.79 CDK2 (0.38) ROCK2CDK2MAPKAPK2PDE3BPDE3A
SCHEMBL25040038 0.74 EPHX1 (0.42) KDM1AMAOB
SCHEMBL25040031 0.74 EPHX1 (0.42) KDM1AMAOB
SCHEMBL25039545 0.74 EPHX1 (0.42) KDM1AMAOB
Hydrochloric Acid SCHEMBL29218729 0.73 EPHX1 (0.41) KDM1AMAOB
SCHEMBL25041421 0.73 MALT1 (0.43) KDM1AMAOBCDK1

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 4 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
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 ROCK2 1973/4885CDK9 3679/4885CDK7 4178/4885

“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.