SCHEMBL28501453

SCHEMBL28501453

CCOC(=O)[C@H](Cc1ccccc1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL28501455 1.00 ELANE (0.48) ELANERAB9AGAAMMP8ALDH1A1
SCHEMBL23211250 0.93 ALDH1A1 (0.49) ELANERAB9AGAAALDH1A1KMT2A
SCHEMBL5276866 0.90 ALDH1A1 (0.50) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL5276860 0.90 ALDH1A1 (0.50) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL4428836 0.86 ALDH1A1 (0.47) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL6615901 0.84 RAB9A (0.53) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL6615905 0.84 RAB9A (0.53) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL21411145 0.83 ALDH1A1 (0.46) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL21410862 0.82 ALDH1A1 (0.45) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL8883935 0.82 L3MBTL1 (0.46) GAAALDH1A1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
CN-112165940-A OX2R compound 德克萨斯州立大学董事会 2021-01-01 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 (5 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-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR ELANE 4368/4885RAB9A 1793/4885GAA 2090/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR ELANE 4368/4885RAB9A 1793/4885GAA 2090/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR ELANE 4368/4885RAB9A 1793/4885GAA 2090/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR ELANE 4368/4885RAB9A 1793/4885GAA 2090/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR ELANE 4368/4885RAB9A 1793/4885GAA 2090/4885

“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.