SCHEMBL25041454

SCHEMBL25041454

CC(C)(C)c1ccc(NCCc2cnc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 1.00
HRH4 Q9H3N8 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL25039331 0.85 HRH3 (0.74) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL5183026 0.80 HRH3 (0.72) HRH3HRH4MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5189170 0.79 HRH3 (0.70) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL5189271 0.74 HRH3 (0.63) HRH3
SCHEMBL29218571 0.73 HRH3 (0.58) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL13036472 0.73 HRH3 (0.78) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL631837 0.69 ADRA2C (0.73) HRH3HRH4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1696889 0.69 HRH3 (0.96) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL13167599 0.68 L3MBTL1 (0.63) HRH3CYP2C19
SCHEMBL3275328 0.68 HRH3 (0.50) HRH3MEN1MAPTKMT2A

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 3775/4885HRH4 3558/4885CYP1A2 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.