SCHEMBL20595604

SCHEMBL20595604

CCOC(=O)CC(C(=O)OCC)(C(=O)OCC)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 3/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL28813054 0.84 ALDH1A1 (0.39) LMNAMAPK1L3MBTL1GAAMITF
SCHEMBL4145656 0.84 L3MBTL1 (0.43) LMNAMAPK1L3MBTL1GAAALDH1A1
SCHEMBL26110877 0.83 THRB (0.40) LMNAMAPK1L3MBTL1GAAMITF
SCHEMBL30276192 0.83 THRB (0.40) LMNAMAPK1L3MBTL1GAAMITF
SCHEMBL10378509 0.83 MEN1 (0.40) LMNAMAPK1L3MBTL1GAAMITF
SCHEMBL12090899 0.77 SMN1; SMN2 (0.41) LMNAMAPK1L3MBTL1GAAMITF
SCHEMBL30468546 0.76 MAPT (0.40) LMNAMAPK1GAAMITFALDH1A1
SCHEMBL14108033 0.76 MAPT (0.40) LMNAMAPK1GAAMITFALDH1A1
SCHEMBL751950 0.75 LMNA (0.41) LMNAMAPK1GAAMITFALDH1A1
SCHEMBL30046816 0.75 LMNA (0.41) LMNAMAPK1GAAMITFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747248-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2026-05-27 — — EP disclosed
WO-2025022093-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2025-01-30 — — WO disclosed
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 — — US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 — — EP disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 — — US disclosed
EP-3642193-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2020-04-29 — — EP disclosed
WO-2018237370-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2018-12-27 — — 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 (2 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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP LMNA 369/4885MAPK1 3013/4885L3MBTL1 3686/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP LMNA 369/4885MAPK1 3013/4885L3MBTL1 3686/4885

“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.

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