SCHEMBL24865607

SCHEMBL24865607

CN(CC(F)(F)F)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
PSMD14 O00487 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
AR P10275 3/20 0.41
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL22465856 0.81 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL21021291 0.81 AR (0.42) ALDH1A1MAPK1ARKDM4EMAPT
SCHEMBL3261282 0.79 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL6258041 0.78 CA12 (0.42) ARCA12CA2CA9NR1H2
SCHEMBL10235386 0.78 AR (0.40) ALDH1A1ARNR1H2NR1H3MEN1
SCHEMBL24522210 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL16914897 0.75 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL16640684 0.75 TDP1 (0.59) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL128466 0.73 TDP1 (0.62) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL10955815 0.71 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4MAPK1TP53

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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 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-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1306/4885TDP1 4531/4885CYP3A4 3346/4885

“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.