SCHEMBL25039331

SCHEMBL25039331

CC(C)(C)c1ccc(NCc2cnc[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.74
TAAR1 Q96RJ0 1/20 0.64
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
ADRA2C P18825 1/20 0.50

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
SCHEMBL25041454 0.85 HRH3 (1.00) HRH3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8211595 0.79 TAAR1 (0.70) HRH3TAAR1ADRA2C
SCHEMBL4901454 0.78 TAAR1 (1.00) HRH3TAAR1HRH4ADRA2C
SCHEMBL14189389 0.76 TAAR1 (0.87) HRH3TAAR1ADRA2C
SCHEMBL29218571 0.76 HRH3 (0.58) HRH3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL631746 0.75 TAAR1 (0.59) TAAR1
SCHEMBL8211925 0.74 HRH3 (0.65) HRH3TAAR1ADRA2C
SCHEMBL14189461 0.73 TAAR1 (0.56) HRH3TAAR1
SCHEMBL10228943 0.72 TAAR1 (0.59) HRH3TAAR1ADRA2C
SCHEMBL8213480 0.72 TAAR1 (0.59) HRH3TAAR1

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 HRH3 3775/4885TAAR1 3204/4885CYP1A2 3238/4885

“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.