SCHEMBL25199389

SCHEMBL25199389

CC(C)(C)Nc1ccc(Nc2ccc(CN)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
BPTF Q12830 3/20 0.39
BRD4 O60885 2/20 0.39
PSIP1 O75475 1/20 0.38
LOXL2 Q9Y4K0 4/20 0.38
PLG P00747 2/20 0.37
KLK1 P06870 2/20 0.37
KLK6 Q92876 2/20 0.37
KLKB1 P03952 1/20 0.37
ABAT P80404 1/20 0.37
F9 P00740 1/20 0.36
F11 P03951 1/20 0.36
F7 P08709 1/20 0.36
CYP2C9 P11712 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
NOS3 P29474 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
SCHEMBL10246718 0.94 HRH3 (0.44) HRH3PSIP1LOXL2PLGKLK1
SCHEMBL17615519 0.88 HRH3 (0.56) HRH3PSIP1LOXL2PLGKLK1
SCHEMBL258907 0.82 HRH3 (0.55) HRH3BPTFBRD4LOXL2ABAT
SCHEMBL1459020 0.80 HRH3 (0.52) HRH3BPTFBRD4LOXL2ABAT
SCHEMBL25189886 0.79 NPC1 (0.42) HRH3BPTFBRD4PSIP1LOXL2
SCHEMBL19088282 0.78 TAAR1 (0.56) LOXL2TAAR1NOS3NOS1NOS2
SCHEMBL30422479 0.77 THRB (0.42) CYP2C9CA1CA2NOS1NOS2
SCHEMBL13884337 0.76 LMNA (0.48)
SCHEMBL28320310 0.76 HRH3 (0.48) HRH3BPTFBRD4LOXL2KLKB1
SCHEMBL6248799 0.76 HPGD (0.45) TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
CN-115151252-A Iron death inhibitors diarylamine para-acetamides 维泰瑞隆有限公司 2022-10-04 CN 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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 HRH3 2042/4885BPTF 3696/4885BRD4 1406/4885

“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.