SCHEMBL30336271

SCHEMBL30336271

CN1C(=O)COc2cc(Nc3ccc(C(C)(C)C)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 1/20 0.44
IDH1 O75874 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SYK P43405 1/20 0.42
GRM4 Q14833 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL24865349 1.00 GABRG2 (0.46) GABRG2GABRB3GABRA5CYP11B2CYP11B1
SCHEMBL24865360 0.88 GABRA5 (0.46) GABRG2GABRB3GABRA5CYP11B2CYP11B1
SCHEMBL762347 0.85 CYP11B2 (0.51) GABRG2GABRB3GABRA5CYP11B2CYP11B1
SCHEMBL24864939 0.83 ALDH1A1 (0.47) ALDH1A1POLBTRPV1
SCHEMBL30336220 0.83 ALDH1A1 (0.47) ALDH1A1POLBTRPV1
SCHEMBL29209064 0.83 ALDH1A1 (0.46) ALDH1A1POLBTRPV1
SCHEMBL24865348 0.83 ALDH1A1 (0.44) GABRG2GABRB3GABRA5ALDH1A1POLB
SCHEMBL30336656 0.83 ALDH1A1 (0.44) GABRG2GABRB3GABRA5ALDH1A1POLB
SCHEMBL13676020 0.79 TRPV1 (0.64) ALDH1A1POLBTRPV1
SCHEMBL13675533 0.79 TRPV1 (0.66) POLBTRPV1

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
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN 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 GABRG2 2615/4885GABRB3 2345/4885GABRA5 3538/4885

“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.